The compound described by Mn27Sb26 crystallizes in the triclinic P1 space group. There are twenty-seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 9-coordinate geometry to one Mn(26), one Mn(27), one Mn(5), one Sb(2), one Sb(20), one Sb(23), one Sb(25), one Sb(4), and one Sb(7) atom. In the second Mn site, Mn(2) is bonded to one Sb(1), one Sb(22), one Sb(25), one Sb(4), one Sb(6), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(18)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra,  a faceface with one Mn(3)MnSb6 octahedra, and  a faceface with one Mn(6)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Mn site, Mn(3) is bonded to one Mn(24), one Sb(21), one Sb(22), one Sb(23), one Sb(4), one Sb(5), and one Sb(6) atom to form distorted MnMnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(19)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(26)Mn2Sb5 trigonal bipyramid, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Mn site, Mn(4) is bonded to one Sb(1), one Sb(11), one Sb(24), one Sb(3), one Sb(6), and one Sb(8) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra, corners with two equivalent Mn(6)Sb6 octahedra,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(14)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(7)Sb6 octahedra,  a faceface with one Mn(5)MnSb6 octahedra, and  a faceface with one Mn(9)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth Mn site, Mn(5) is bonded to one Mn(1), one Sb(23), one Sb(24), one Sb(25), one Sb(6), one Sb(7), and one Sb(8) atom to form distorted MnMnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(2)Sb6 octahedra,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(15)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra,  an edgeedge with one Mn(6)Sb6 octahedra,  an edgeedge with one Mn(26)Mn2Sb5 trigonal bipyramid, and  a faceface with one Mn(4)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the sixth Mn site, Mn(6) is bonded to one Sb(1), one Sb(10), one Sb(25), one Sb(26), one Sb(8), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(4)Sb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(15)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra,  an edgeedge with one Mn(9)Sb6 octahedra,  a faceface with one Mn(2)Sb6 octahedra, and  a faceface with one Mn(7)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the seventh Mn site, Mn(7) is bonded to one Sb(10), one Sb(13), one Sb(26), one Sb(3), one Sb(5), and one Sb(8) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra, corners with two equivalent Mn(9)Sb6 octahedra,  an edgeedge with one Mn(14)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra,  an edgeedge with one Mn(8)Sb6 octahedra,  a faceface with one Mn(11)Sb6 octahedra, and  a faceface with one Mn(6)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the eighth Mn site, Mn(8) is bonded to one Sb(10), one Sb(12), one Sb(15), one Sb(2), one Sb(5), and one Sb(7) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra, corners with two equivalent Mn(11)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(18)Sb6 octahedra,  an edgeedge with one Mn(7)Sb6 octahedra,  a faceface with one Mn(12)Sb6 octahedra, and  a faceface with one Mn(9)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the ninth Mn site, Mn(9) is bonded to one Sb(1), one Sb(10), one Sb(11), one Sb(12), one Sb(2), and one Sb(3) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra, corners with two equivalent Mn(7)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(19)Sb6 octahedra,  an edgeedge with one Mn(6)Sb6 octahedra,  a faceface with one Mn(4)Sb6 octahedra, and  a faceface with one Mn(8)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the tenth Mn site, Mn(10) is bonded to one Sb(12), one Sb(14), one Sb(17), one Sb(4), one Sb(7), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(12)Sb6 octahedra,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(18)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(8)Sb6 octahedra,  a faceface with one Mn(11)Sb6 octahedra, and  a faceface with one Mn(15)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the eleventh Mn site, Mn(11) is bonded to one Sb(12), one Sb(13), one Sb(14), one Sb(3), one Sb(4), and one Sb(5) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra, corners with two equivalent Mn(8)Sb6 octahedra,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(19)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(9)Sb6 octahedra,  a faceface with one Mn(10)Sb6 octahedra, and  a faceface with one Mn(7)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the twelfth Mn site, Mn(12) is bonded to one Sb(14), one Sb(15), one Sb(16), one Sb(5), one Sb(6), and one Sb(7) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra, corners with two equivalent Mn(10)Sb6 octahedra,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(15)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra,  a faceface with one Mn(13)Sb6 octahedra, and  a faceface with one Mn(8)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the thirteenth Mn site, Mn(13) is bonded to one Sb(11), one Sb(14), one Sb(16), one Sb(19), one Sb(6), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(15)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(14)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra, and  a faceface with one Mn(12)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourteenth Mn site, Mn(14) is bonded to one Sb(11), one Sb(13), one Sb(16), one Sb(18), one Sb(21), and one Sb(8) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra,  an edgeedge with one Mn(7)Sb6 octahedra,  a faceface with one Mn(15)Sb6 octahedra, and  a faceface with one Mn(19)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifteenth Mn site, Mn(15) is bonded to one Sb(16), one Sb(17), one Sb(18), one Sb(7), one Sb(8), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(13)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra,  an edgeedge with one Mn(6)Sb6 octahedra,  a faceface with one Mn(10)Sb6 octahedra, and  a faceface with one Mn(14)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the sixteenth Mn site, Mn(16) is bonded in a 6-coordinate geometry to one Sb(10), one Sb(13), one Sb(15), one Sb(18), one Sb(20), and one Sb(23) atom. In the seventeenth Mn site, Mn(17) is bonded in a 6-coordinate geometry to one Sb(10), one Sb(11), one Sb(18), one Sb(19), one Sb(20), and one Sb(9) atom. In the eighteenth Mn site, Mn(18) is bonded to one Sb(12), one Sb(15), one Sb(17), one Sb(20), one Sb(22), and one Sb(25) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(21)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(8)Sb6 octahedra,  a faceface with one Mn(19)Sb6 octahedra, and  a faceface with one Mn(23)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the nineteenth Mn site, Mn(19) is bonded to one Sb(11), one Sb(12), one Sb(13), one Sb(20), one Sb(21), and one Sb(22) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(9)Sb6 octahedra,  a faceface with one Mn(14)Sb6 octahedra, and  a faceface with one Mn(18)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the twentieth Mn site, Mn(20) is bonded to one Sb(1), one Sb(14), one Sb(17), one Sb(19), one Sb(22), and one Sb(24) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(23)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(18)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra, and  a faceface with one Mn(21)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the twenty-first Mn site, Mn(21) is bonded to one Sb(13), one Sb(14), one Sb(15), one Sb(22), one Sb(23), and one Sb(24) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(18)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(19)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra, and  a faceface with one Mn(20)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the twenty-second Mn site, Mn(22) is bonded to one Sb(16), one Sb(19), one Sb(21), one Sb(24), one Sb(26), and one Sb(3) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(14)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra,  an edgeedge with one Mn(7)Sb6 octahedra, and  a faceface with one Mn(23)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the twenty-third Mn site, Mn(23) is bonded to one Sb(15), one Sb(16), one Sb(17), one Sb(24), one Sb(25), and one Sb(26) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(20)Sb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(15)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(6)Sb6 octahedra,  a faceface with one Mn(18)Sb6 octahedra, and  a faceface with one Mn(22)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the twenty-fourth Mn site, Mn(24) is bonded in a 9-coordinate geometry to one Mn(25), one Mn(26), one Mn(3), one Sb(18), one Sb(2), one Sb(21), one Sb(23), one Sb(26), and one Sb(5) atom. In the twenty-fifth Mn site, Mn(25) is bonded in a 6-coordinate geometry to one Mn(24), one Sb(1), one Sb(17), one Sb(18), one Sb(19), one Sb(2), and one Sb(26) atom. In the twenty-sixth Mn site, Mn(26) is bonded to one Mn(1), one Mn(24), one Sb(18), one Sb(19), one Sb(2), one Sb(20), and one Sb(23) atom to form distorted MnMn2Sb5 trigonal bipyramids that share  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra,  an edgeedge with one Mn(3)MnSb6 octahedra, and  an edgeedge with one Mn(5)MnSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-58°. In the twenty-seventh Mn site, Mn(27) is bonded in a 6-coordinate geometry to one Mn(1), one Sb(19), one Sb(2), one Sb(20), one Sb(21), one Sb(3), and one Sb(4) atom. There are twenty-six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Mn(2), one Mn(20), one Mn(25), one Mn(4), one Mn(6), and one Mn(9) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(24), one Mn(25), one Mn(26), one Mn(27), one Mn(8), and one Mn(9) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Mn(11), one Mn(22), one Mn(27), one Mn(4), one Mn(7), and one Mn(9) atom. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(10), one Mn(11), one Mn(2), one Mn(27), and one Mn(3) atom. In the fifth Sb site, Sb(5) is bonded in a 6-coordinate geometry to one Mn(11), one Mn(12), one Mn(24), one Mn(3), one Mn(7), and one Mn(8) atom. In the sixth Sb site, Sb(6) is bonded in a 6-coordinate geometry to one Mn(12), one Mn(13), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom. In the seventh Sb site, Sb(7) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(10), one Mn(12), one Mn(15), one Mn(5), and one Mn(8) atom. In the eighth Sb site, Sb(8) is bonded in a 6-coordinate geometry to one Mn(14), one Mn(15), one Mn(4), one Mn(5), one Mn(6), and one Mn(7) atom. In the ninth Sb site, Sb(9) is bonded in a 6-coordinate geometry to one Mn(10), one Mn(13), one Mn(15), one Mn(17), one Mn(2), and one Mn(6) atom. In the tenth Sb site, Sb(10) is bonded in a 6-coordinate geometry to one Mn(16), one Mn(17), one Mn(6), one Mn(7), one Mn(8), and one Mn(9) atom. In the eleventh Sb site, Sb(11) is bonded in a 6-coordinate geometry to one Mn(13), one Mn(14), one Mn(17), one Mn(19), one Mn(4), and one Mn(9) atom. In the twelfth Sb site, Sb(12) is bonded in a 6-coordinate geometry to one Mn(10), one Mn(11), one Mn(18), one Mn(19), one Mn(8), and one Mn(9) atom. In the thirteenth Sb site, Sb(13) is bonded in a 6-coordinate geometry to one Mn(11), one Mn(14), one Mn(16), one Mn(19), one Mn(21), and one Mn(7) atom. In the fourteenth Sb site, Sb(14) is bonded in a 6-coordinate geometry to one Mn(10), one Mn(11), one Mn(12), one Mn(13), one Mn(20), and one Mn(21) atom. In the fifteenth Sb site, Sb(15) is bonded in a 6-coordinate geometry to one Mn(12), one Mn(16), one Mn(18), one Mn(21), one Mn(23), and one Mn(8) atom. In the sixteenth Sb site, Sb(16) is bonded in a 6-coordinate geometry to one Mn(12), one Mn(13), one Mn(14), one Mn(15), one Mn(22), and one Mn(23) atom. In the seventeenth Sb site, Sb(17) is bonded in a 6-coordinate geometry to one Mn(10), one Mn(15), one Mn(18), one Mn(20), one Mn(23), and one Mn(25) atom. In the eighteenth Sb site, Sb(18) is bonded in a 7-coordinate geometry to one Mn(14), one Mn(15), one Mn(16), one Mn(17), one Mn(24), one Mn(25), and one Mn(26) atom. In the nineteenth Sb site, Sb(19) is bonded in a 7-coordinate geometry to one Mn(13), one Mn(17), one Mn(20), one Mn(22), one Mn(25), one Mn(26), and one Mn(27) atom. In the twentieth Sb site, Sb(20) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(16), one Mn(17), one Mn(18), one Mn(19), one Mn(26), and one Mn(27) atom. In the twenty-first Sb site, Sb(21) is bonded in a 6-coordinate geometry to one Mn(14), one Mn(19), one Mn(22), one Mn(24), one Mn(27), and one Mn(3) atom. In the twenty-second Sb site, Sb(22) is bonded in a 6-coordinate geometry to one Mn(18), one Mn(19), one Mn(2), one Mn(20), one Mn(21), and one Mn(3) atom. In the twenty-third Sb site, Sb(23) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(16), one Mn(21), one Mn(24), one Mn(26), one Mn(3), and one Mn(5) atom. In the twenty-fourth Sb site, Sb(24) is bonded in a 6-coordinate geometry to one Mn(20), one Mn(21), one Mn(22), one Mn(23), one Mn(4), and one Mn(5) atom. In the twenty-fifth Sb site, Sb(25) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(18), one Mn(2), one Mn(23), one Mn(5), and one Mn(6) atom. In the twenty-sixth Sb site, Sb(26) is bonded in a 6-coordinate geometry to one Mn(22), one Mn(23), one Mn(24), one Mn(25), one Mn(6), and one Mn(7) atom. is represented by the CIF card [CIF]
data_Mn27Sb26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.955
_cell_length_b   10.773
_cell_length_c   11.972
_cell_angle_alpha   108.849
_cell_angle_beta   112.751
_cell_angle_gamma   99.160
_symmetry_Int_Tables_number   1
_cell_volume   1059.498
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.002  0.999  0.999  1.0
  Mn  Mn1  1  0.462  0.076  0.230  1.0
  Mn  Mn2  1  0.501  0.998  0.999  1.0
  Mn  Mn3  1  0.923  0.153  0.461  1.0
  Mn  Mn4  1  0.961  0.077  0.227  1.0
  Mn  Mn5  1  0.422  0.153  0.460  1.0
  Mn  Mn6  1  0.384  0.230  0.693  1.0
  Mn  Mn7  1  0.848  0.315  0.926  1.0
  Mn  Mn8  1  0.886  0.234  0.691  1.0
  Mn  Mn9  1  0.310  0.385  0.154  1.0
  Mn  Mn10  1  0.349  0.307  0.923  1.0
  Mn  Mn11  1  0.808  0.384  0.155  1.0
  Mn  Mn12  1  0.768  0.463  0.385  1.0
  Mn  Mn13  1  0.227  0.537  0.615  1.0
  Mn  Mn14  1  0.265  0.458  0.381  1.0
  Mn  Mn15  1  0.692  0.613  0.844  1.0
  Mn  Mn16  1  0.730  0.537  0.616  1.0
  Mn  Mn17  1  0.156  0.690  0.081  1.0
  Mn  Mn18  1  0.195  0.614  0.845  1.0
  Mn  Mn19  1  0.618  0.770  0.309  1.0
  Mn  Mn20  1  0.652  0.694  0.075  1.0
  Mn  Mn21  1  0.074  0.847  0.538  1.0
  Mn  Mn22  1  0.117  0.769  0.309  1.0
  Mn  Mn23  1  0.535  0.920  0.766  1.0
  Mn  Mn24  1  0.577  0.849  0.541  1.0
  Mn  Mn25  1  0.764  0.810  0.757  1.0
  Mn  Mn26  1  0.038  0.926  0.773  1.0
  Sb  Sb27  1  0.647  0.040  0.449  1.0
  Sb  Sb28  1  0.817  0.057  0.785  1.0
  Sb  Sb29  1  0.109  0.117  0.680  1.0
  Sb  Sb30  1  0.277  0.114  0.013  1.0
  Sb  Sb31  1  0.572  0.193  0.910  1.0
  Sb  Sb32  1  0.738  0.191  0.244  1.0
  Sb  Sb33  1  0.032  0.271  0.138  1.0
  Sb  Sb34  1  0.198  0.266  0.474  1.0
  Sb  Sb35  1  0.493  0.346  0.372  1.0
  Sb  Sb36  1  0.658  0.344  0.704  1.0
  Sb  Sb37  1  0.954  0.423  0.601  1.0
  Sb  Sb38  1  0.125  0.422  0.936  1.0
  Sb  Sb39  1  0.417  0.500  0.832  1.0
  Sb  Sb40  1  0.584  0.499  0.166  1.0
  Sb  Sb41  1  0.877  0.581  0.065  1.0
  Sb  Sb42  1  0.044  0.576  0.397  1.0
  Sb  Sb43  1  0.343  0.656  0.298  1.0
  Sb  Sb44  1  0.489  0.641  0.619  1.0
  Sb  Sb45  1  0.800  0.735  0.532  1.0
  Sb  Sb46  1  0.981  0.723  0.866  1.0
  Sb  Sb47  1  0.260  0.809  0.756  1.0
  Sb  Sb48  1  0.429  0.806  0.090  1.0
  Sb  Sb49  1  0.725  0.884  0.981  1.0
  Sb  Sb50  1  0.893  0.885  0.321  1.0
  Sb  Sb51  1  0.186  0.962  0.218  1.0
  Sb  Sb52  1  0.353  0.961  0.552  1.0
[/CIF]
.
The compound described by Mn27Sb26 crystallizes in the triclinic P1 space group. There are twenty-seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 9-coordinate geometry to one Mn(26), one Mn(27), one Mn(5), one Sb(2), one Sb(20), one Sb(23), one Sb(25), one Sb(4), and one Sb(7) atom. In the second Mn site, Mn(2) is bonded to one Sb(1), one Sb(22), one Sb(25), one Sb(4), one Sb(6), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(18)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra,  a faceface with one Mn(3)MnSb6 octahedra, and  a faceface with one Mn(6)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Mn site, Mn(3) is bonded to one Mn(24), one Sb(21), one Sb(22), one Sb(23), one Sb(4), one Sb(5), and one Sb(6) atom to form distorted MnMnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(19)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(26)Mn2Sb5 trigonal bipyramid, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Mn site, Mn(4) is bonded to one Sb(1), one Sb(11), one Sb(24), one Sb(3), one Sb(6), and one Sb(8) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra, corners with two equivalent Mn(6)Sb6 octahedra,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(14)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(7)Sb6 octahedra,  a faceface with one Mn(5)MnSb6 octahedra, and  a faceface with one Mn(9)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth Mn site, Mn(5) is bonded to one Mn(1), one Sb(23), one Sb(24), one Sb(25), one Sb(6), one Sb(7), and one Sb(8) atom to form distorted MnMnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(2)Sb6 octahedra,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(15)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra,  an edgeedge with one Mn(6)Sb6 octahedra,  an edgeedge with one Mn(26)Mn2Sb5 trigonal bipyramid, and  a faceface with one Mn(4)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the sixth Mn site, Mn(6) is bonded to one Sb(1), one Sb(10), one Sb(25), one Sb(26), one Sb(8), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(4)Sb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(15)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra,  an edgeedge with one Mn(9)Sb6 octahedra,  a faceface with one Mn(2)Sb6 octahedra, and  a faceface with one Mn(7)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the seventh Mn site, Mn(7) is bonded to one Sb(10), one Sb(13), one Sb(26), one Sb(3), one Sb(5), and one Sb(8) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra, corners with two equivalent Mn(9)Sb6 octahedra,  an edgeedge with one Mn(14)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra,  an edgeedge with one Mn(8)Sb6 octahedra,  a faceface with one Mn(11)Sb6 octahedra, and  a faceface with one Mn(6)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the eighth Mn site, Mn(8) is bonded to one Sb(10), one Sb(12), one Sb(15), one Sb(2), one Sb(5), and one Sb(7) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra, corners with two equivalent Mn(11)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(18)Sb6 octahedra,  an edgeedge with one Mn(7)Sb6 octahedra,  a faceface with one Mn(12)Sb6 octahedra, and  a faceface with one Mn(9)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the ninth Mn site, Mn(9) is bonded to one Sb(1), one Sb(10), one Sb(11), one Sb(12), one Sb(2), and one Sb(3) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra, corners with two equivalent Mn(7)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(19)Sb6 octahedra,  an edgeedge with one Mn(6)Sb6 octahedra,  a faceface with one Mn(4)Sb6 octahedra, and  a faceface with one Mn(8)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the tenth Mn site, Mn(10) is bonded to one Sb(12), one Sb(14), one Sb(17), one Sb(4), one Sb(7), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(12)Sb6 octahedra,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(18)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(8)Sb6 octahedra,  a faceface with one Mn(11)Sb6 octahedra, and  a faceface with one Mn(15)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the eleventh Mn site, Mn(11) is bonded to one Sb(12), one Sb(13), one Sb(14), one Sb(3), one Sb(4), and one Sb(5) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra, corners with two equivalent Mn(8)Sb6 octahedra,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(19)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(9)Sb6 octahedra,  a faceface with one Mn(10)Sb6 octahedra, and  a faceface with one Mn(7)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the twelfth Mn site, Mn(12) is bonded to one Sb(14), one Sb(15), one Sb(16), one Sb(5), one Sb(6), and one Sb(7) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra, corners with two equivalent Mn(10)Sb6 octahedra,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(15)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra,  a faceface with one Mn(13)Sb6 octahedra, and  a faceface with one Mn(8)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the thirteenth Mn site, Mn(13) is bonded to one Sb(11), one Sb(14), one Sb(16), one Sb(19), one Sb(6), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(15)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(14)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra, and  a faceface with one Mn(12)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourteenth Mn site, Mn(14) is bonded to one Sb(11), one Sb(13), one Sb(16), one Sb(18), one Sb(21), and one Sb(8) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(23)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra,  an edgeedge with one Mn(7)Sb6 octahedra,  a faceface with one Mn(15)Sb6 octahedra, and  a faceface with one Mn(19)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifteenth Mn site, Mn(15) is bonded to one Sb(16), one Sb(17), one Sb(18), one Sb(7), one Sb(8), and one Sb(9) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(13)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra,  an edgeedge with one Mn(6)Sb6 octahedra,  a faceface with one Mn(10)Sb6 octahedra, and  a faceface with one Mn(14)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the sixteenth Mn site, Mn(16) is bonded in a 6-coordinate geometry to one Sb(10), one Sb(13), one Sb(15), one Sb(18), one Sb(20), and one Sb(23) atom. In the seventeenth Mn site, Mn(17) is bonded in a 6-coordinate geometry to one Sb(10), one Sb(11), one Sb(18), one Sb(19), one Sb(20), and one Sb(9) atom. In the eighteenth Mn site, Mn(18) is bonded to one Sb(12), one Sb(15), one Sb(17), one Sb(20), one Sb(22), and one Sb(25) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(21)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(8)Sb6 octahedra,  a faceface with one Mn(19)Sb6 octahedra, and  a faceface with one Mn(23)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the nineteenth Mn site, Mn(19) is bonded to one Sb(11), one Sb(12), one Sb(13), one Sb(20), one Sb(21), and one Sb(22) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(9)Sb6 octahedra,  a faceface with one Mn(14)Sb6 octahedra, and  a faceface with one Mn(18)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the twentieth Mn site, Mn(20) is bonded to one Sb(1), one Sb(14), one Sb(17), one Sb(19), one Sb(22), and one Sb(24) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra, corners with two equivalent Mn(23)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(10)Sb6 octahedra,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(18)Sb6 octahedra,  an edgeedge with one Mn(2)Sb6 octahedra,  an edgeedge with one Mn(22)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra, and  a faceface with one Mn(21)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the twenty-first Mn site, Mn(21) is bonded to one Sb(13), one Sb(14), one Sb(15), one Sb(22), one Sb(23), and one Sb(24) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(18)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(3)MnSb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(11)Sb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(19)Sb6 octahedra,  an edgeedge with one Mn(23)Sb6 octahedra, and  a faceface with one Mn(20)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the twenty-second Mn site, Mn(22) is bonded to one Sb(16), one Sb(19), one Sb(21), one Sb(24), one Sb(26), and one Sb(3) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(3)MnSb6 octahedra,  a cornercorner with one Mn(5)MnSb6 octahedra,  a cornercorner with one Mn(11)Sb6 octahedra,  a cornercorner with one Mn(12)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(6)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra,  a cornercorner with one Mn(26)Mn2Sb5 trigonal bipyramid,  an edgeedge with one Mn(13)Sb6 octahedra,  an edgeedge with one Mn(14)Sb6 octahedra,  an edgeedge with one Mn(20)Sb6 octahedra,  an edgeedge with one Mn(4)Sb6 octahedra,  an edgeedge with one Mn(7)Sb6 octahedra, and  a faceface with one Mn(23)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the twenty-third Mn site, Mn(23) is bonded to one Sb(15), one Sb(16), one Sb(17), one Sb(24), one Sb(25), and one Sb(26) atom to form distorted MnSb6 octahedra that share  a cornercorner with one Mn(10)Sb6 octahedra,  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(2)Sb6 octahedra,  a cornercorner with one Mn(4)Sb6 octahedra,  a cornercorner with one Mn(7)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra, corners with two equivalent Mn(20)Sb6 octahedra,  an edgeedge with one Mn(5)MnSb6 octahedra,  an edgeedge with one Mn(12)Sb6 octahedra,  an edgeedge with one Mn(15)Sb6 octahedra,  an edgeedge with one Mn(21)Sb6 octahedra,  an edgeedge with one Mn(6)Sb6 octahedra,  a faceface with one Mn(18)Sb6 octahedra, and  a faceface with one Mn(22)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the twenty-fourth Mn site, Mn(24) is bonded in a 9-coordinate geometry to one Mn(25), one Mn(26), one Mn(3), one Sb(18), one Sb(2), one Sb(21), one Sb(23), one Sb(26), and one Sb(5) atom. In the twenty-fifth Mn site, Mn(25) is bonded in a 6-coordinate geometry to one Mn(24), one Sb(1), one Sb(17), one Sb(18), one Sb(19), one Sb(2), and one Sb(26) atom. In the twenty-sixth Mn site, Mn(26) is bonded to one Mn(1), one Mn(24), one Sb(18), one Sb(19), one Sb(2), one Sb(20), and one Sb(23) atom to form distorted MnMn2Sb5 trigonal bipyramids that share  a cornercorner with one Mn(13)Sb6 octahedra,  a cornercorner with one Mn(14)Sb6 octahedra,  a cornercorner with one Mn(15)Sb6 octahedra,  a cornercorner with one Mn(18)Sb6 octahedra,  a cornercorner with one Mn(19)Sb6 octahedra,  a cornercorner with one Mn(20)Sb6 octahedra,  a cornercorner with one Mn(21)Sb6 octahedra,  a cornercorner with one Mn(22)Sb6 octahedra,  a cornercorner with one Mn(8)Sb6 octahedra,  a cornercorner with one Mn(9)Sb6 octahedra,  an edgeedge with one Mn(3)MnSb6 octahedra, and  an edgeedge with one Mn(5)MnSb6 octahedra. The corner-sharing octahedral tilt angles range from 32-58°. In the twenty-seventh Mn site, Mn(27) is bonded in a 6-coordinate geometry to one Mn(1), one Sb(19), one Sb(2), one Sb(20), one Sb(21), one Sb(3), and one Sb(4) atom. There are twenty-six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Mn(2), one Mn(20), one Mn(25), one Mn(4), one Mn(6), and one Mn(9) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(24), one Mn(25), one Mn(26), one Mn(27), one Mn(8), and one Mn(9) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Mn(11), one Mn(22), one Mn(27), one Mn(4), one Mn(7), and one Mn(9) atom. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(10), one Mn(11), one Mn(2), one Mn(27), and one Mn(3) atom. In the fifth Sb site, Sb(5) is bonded in a 6-coordinate geometry to one Mn(11), one Mn(12), one Mn(24), one Mn(3), one Mn(7), and one Mn(8) atom. In the sixth Sb site, Sb(6) is bonded in a 6-coordinate geometry to one Mn(12), one Mn(13), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom. In the seventh Sb site, Sb(7) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(10), one Mn(12), one Mn(15), one Mn(5), and one Mn(8) atom. In the eighth Sb site, Sb(8) is bonded in a 6-coordinate geometry to one Mn(14), one Mn(15), one Mn(4), one Mn(5), one Mn(6), and one Mn(7) atom. In the ninth Sb site, Sb(9) is bonded in a 6-coordinate geometry to one Mn(10), one Mn(13), one Mn(15), one Mn(17), one Mn(2), and one Mn(6) atom. In the tenth Sb site, Sb(10) is bonded in a 6-coordinate geometry to one Mn(16), one Mn(17), one Mn(6), one Mn(7), one Mn(8), and one Mn(9) atom. In the eleventh Sb site, Sb(11) is bonded in a 6-coordinate geometry to one Mn(13), one Mn(14), one Mn(17), one Mn(19), one Mn(4), and one Mn(9) atom. In the twelfth Sb site, Sb(12) is bonded in a 6-coordinate geometry to one Mn(10), one Mn(11), one Mn(18), one Mn(19), one Mn(8), and one Mn(9) atom. In the thirteenth Sb site, Sb(13) is bonded in a 6-coordinate geometry to one Mn(11), one Mn(14), one Mn(16), one Mn(19), one Mn(21), and one Mn(7) atom. In the fourteenth Sb site, Sb(14) is bonded in a 6-coordinate geometry to one Mn(10), one Mn(11), one Mn(12), one Mn(13), one Mn(20), and one Mn(21) atom. In the fifteenth Sb site, Sb(15) is bonded in a 6-coordinate geometry to one Mn(12), one Mn(16), one Mn(18), one Mn(21), one Mn(23), and one Mn(8) atom. In the sixteenth Sb site, Sb(16) is bonded in a 6-coordinate geometry to one Mn(12), one Mn(13), one Mn(14), one Mn(15), one Mn(22), and one Mn(23) atom. In the seventeenth Sb site, Sb(17) is bonded in a 6-coordinate geometry to one Mn(10), one Mn(15), one Mn(18), one Mn(20), one Mn(23), and one Mn(25) atom. In the eighteenth Sb site, Sb(18) is bonded in a 7-coordinate geometry to one Mn(14), one Mn(15), one Mn(16), one Mn(17), one Mn(24), one Mn(25), and one Mn(26) atom. In the nineteenth Sb site, Sb(19) is bonded in a 7-coordinate geometry to one Mn(13), one Mn(17), one Mn(20), one Mn(22), one Mn(25), one Mn(26), and one Mn(27) atom. In the twentieth Sb site, Sb(20) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(16), one Mn(17), one Mn(18), one Mn(19), one Mn(26), and one Mn(27) atom. In the twenty-first Sb site, Sb(21) is bonded in a 6-coordinate geometry to one Mn(14), one Mn(19), one Mn(22), one Mn(24), one Mn(27), and one Mn(3) atom. In the twenty-second Sb site, Sb(22) is bonded in a 6-coordinate geometry to one Mn(18), one Mn(19), one Mn(2), one Mn(20), one Mn(21), and one Mn(3) atom. In the twenty-third Sb site, Sb(23) is bonded in a 7-coordinate geometry to one Mn(1), one Mn(16), one Mn(21), one Mn(24), one Mn(26), one Mn(3), and one Mn(5) atom. In the twenty-fourth Sb site, Sb(24) is bonded in a 6-coordinate geometry to one Mn(20), one Mn(21), one Mn(22), one Mn(23), one Mn(4), and one Mn(5) atom. In the twenty-fifth Sb site, Sb(25) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(18), one Mn(2), one Mn(23), one Mn(5), and one Mn(6) atom. In the twenty-sixth Sb site, Sb(26) is bonded in a 6-coordinate geometry to one Mn(22), one Mn(23), one Mn(24), one Mn(25), one Mn(6), and one Mn(7) atom. is represented by the CIF card [CIF]
data_Mn27Sb26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.955
_cell_length_b   10.773
_cell_length_c   11.972
_cell_angle_alpha   108.849
_cell_angle_beta   112.751
_cell_angle_gamma   99.160
_symmetry_Int_Tables_number   1
_cell_volume   1059.498
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.002  0.999  0.999  1.0
  Mn  Mn1  1  0.462  0.076  0.230  1.0
  Mn  Mn2  1  0.501  0.998  0.999  1.0
  Mn  Mn3  1  0.923  0.153  0.461  1.0
  Mn  Mn4  1  0.961  0.077  0.227  1.0
  Mn  Mn5  1  0.422  0.153  0.460  1.0
  Mn  Mn6  1  0.384  0.230  0.693  1.0
  Mn  Mn7  1  0.848  0.315  0.926  1.0
  Mn  Mn8  1  0.886  0.234  0.691  1.0
  Mn  Mn9  1  0.310  0.385  0.154  1.0
  Mn  Mn10  1  0.349  0.307  0.923  1.0
  Mn  Mn11  1  0.808  0.384  0.155  1.0
  Mn  Mn12  1  0.768  0.463  0.385  1.0
  Mn  Mn13  1  0.227  0.537  0.615  1.0
  Mn  Mn14  1  0.265  0.458  0.381  1.0
  Mn  Mn15  1  0.692  0.613  0.844  1.0
  Mn  Mn16  1  0.730  0.537  0.616  1.0
  Mn  Mn17  1  0.156  0.690  0.081  1.0
  Mn  Mn18  1  0.195  0.614  0.845  1.0
  Mn  Mn19  1  0.618  0.770  0.309  1.0
  Mn  Mn20  1  0.652  0.694  0.075  1.0
  Mn  Mn21  1  0.074  0.847  0.538  1.0
  Mn  Mn22  1  0.117  0.769  0.309  1.0
  Mn  Mn23  1  0.535  0.920  0.766  1.0
  Mn  Mn24  1  0.577  0.849  0.541  1.0
  Mn  Mn25  1  0.764  0.810  0.757  1.0
  Mn  Mn26  1  0.038  0.926  0.773  1.0
  Sb  Sb27  1  0.647  0.040  0.449  1.0
  Sb  Sb28  1  0.817  0.057  0.785  1.0
  Sb  Sb29  1  0.109  0.117  0.680  1.0
  Sb  Sb30  1  0.277  0.114  0.013  1.0
  Sb  Sb31  1  0.572  0.193  0.910  1.0
  Sb  Sb32  1  0.738  0.191  0.244  1.0
  Sb  Sb33  1  0.032  0.271  0.138  1.0
  Sb  Sb34  1  0.198  0.266  0.474  1.0
  Sb  Sb35  1  0.493  0.346  0.372  1.0
  Sb  Sb36  1  0.658  0.344  0.704  1.0
  Sb  Sb37  1  0.954  0.423  0.601  1.0
  Sb  Sb38  1  0.125  0.422  0.936  1.0
  Sb  Sb39  1  0.417  0.500  0.832  1.0
  Sb  Sb40  1  0.584  0.499  0.166  1.0
  Sb  Sb41  1  0.877  0.581  0.065  1.0
  Sb  Sb42  1  0.044  0.576  0.397  1.0
  Sb  Sb43  1  0.343  0.656  0.298  1.0
  Sb  Sb44  1  0.489  0.641  0.619  1.0
  Sb  Sb45  1  0.800  0.735  0.532  1.0
  Sb  Sb46  1  0.981  0.723  0.866  1.0
  Sb  Sb47  1  0.260  0.809  0.756  1.0
  Sb  Sb48  1  0.429  0.806  0.090  1.0
  Sb  Sb49  1  0.725  0.884  0.981  1.0
  Sb  Sb50  1  0.893  0.885  0.321  1.0
  Sb  Sb51  1  0.186  0.962  0.218  1.0
  Sb  Sb52  1  0.353  0.961  0.552  1.0
[/CIF]
.