The compound described by Ba4Nd3F17 crystallizes in the triclinic P1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one F(1), one F(21), one F(3), one F(30), one F(31), one F(32), one F(5), and one F(7) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(10), one F(12), one F(13), one F(16), one F(2), one F(3), one F(4), one F(5), one F(8), and one F(9) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one F(1), one F(15), one F(23), one F(27), one F(3), one F(6), one F(7), and one F(9) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one F(1), one F(15), one F(2), one F(30), one F(33), one F(34), one F(7), and one F(8) atom. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one F(1), one F(16), one F(2), one F(21), one F(22), one F(25), one F(28), one F(29), one F(3), one F(34), and one F(6) atom. In the sixth Ba site, Ba(6) is bonded in a 11-coordinate geometry to one F(1), one F(13), one F(17), one F(21), one F(22), one F(24), one F(27), one F(29), one F(30), one F(33), and one F(9) atom. In the seventh Ba site, Ba(7) is bonded in a 10-coordinate geometry to one F(20), one F(23), one F(24), one F(26), one F(27), one F(28), one F(31), one F(32), one F(33), and one F(34) atom. In the eighth Ba site, Ba(8) is bonded in a 11-coordinate geometry to one F(1), one F(15), one F(18), one F(25), one F(26), one F(29), one F(31), one F(33), one F(4), one F(5), and one F(6) atom. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one F(10), one F(11), one F(12), one F(14), one F(32), one F(34), one F(4), and one F(6) atom. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one F(10), one F(16), one F(17), one F(19), one F(22), one F(27), one F(28), one F(7), and one F(8) atom. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one F(11), one F(13), one F(15), one F(17), one F(20), one F(23), one F(24), and one F(5) atom. In the fourth Nd site, Nd(4) is bonded in a 9-coordinate geometry to one F(12), one F(13), one F(16), one F(18), one F(19), one F(21), one F(23), one F(25), and one F(31) atom. In the fifth Nd site, Nd(5) is bonded in a 8-coordinate geometry to one F(14), one F(18), one F(20), one F(26), one F(28), one F(29), one F(8), and one F(9) atom. In the sixth Nd site, Nd(6) is bonded in a 9-coordinate geometry to one F(19), one F(2), one F(22), one F(24), one F(25), one F(26), one F(30), one F(32), and one F(4) atom. There are thirty-four inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(3), one Ba(4), one Ba(5), one Ba(6), and one Ba(8) atom to form FBa6 octahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra, corners with two equivalent F(2)Ba3Nd tetrahedra, corners with two equivalent F(27)Ba3Nd tetrahedra, corners with two equivalent F(31)Ba3Nd tetrahedra, corners with two equivalent F(34)Ba3Nd tetrahedra, corners with two equivalent F(5)Ba3Nd tetrahedra, corners with two equivalent F(9)Ba3Nd tetrahedra,  a faceface with one F(15)Ba3Nd tetrahedra,  a faceface with one F(21)Ba3Nd tetrahedra,  a faceface with one F(29)Ba3Nd tetrahedra,  a faceface with one F(30)Ba3Nd tetrahedra,  a faceface with one F(6)Ba3Nd tetrahedra,  a faceface with one F(7)Ba3Nd tetrahedra,  a faceface with one F(3)Ba4 tetrahedra, and  a faceface with one F(33)Ba4 tetrahedra. In the second F site, F(2) is bonded to one Ba(2), one Ba(4), one Ba(5), and one Nd(6) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Nd2 tetrahedra,  an edgeedge with one F(8)Ba2Nd2 tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(34)Ba3Nd tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third F site, F(3) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ba(5) atom to form FBa4 tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra,  an edgeedge with one F(6)Ba3Nd tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra,  an edgeedge with one F(9)Ba3Nd tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the fourth F site, F(4) is bonded to one Ba(2), one Ba(8), one Nd(1), and one Nd(6) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Nd2 tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra, and  an edgeedge with one F(6)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fifth F site, F(5) is bonded to one Ba(1), one Ba(2), one Ba(8), and one Nd(3) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Nd2 tetrahedra,  an edgeedge with one F(4)Ba2Nd2 tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(31)Ba3Nd tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the sixth F site, F(6) is bonded to one Ba(3), one Ba(5), one Ba(8), and one Nd(1) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Nd2 tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra,  an edgeedge with one F(34)Ba3Nd tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the seventh F site, F(7) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Nd(2) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Nd2 tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the eighth F site, F(8) is bonded to one Ba(2), one Ba(4), one Nd(2), and one Nd(5) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Nd2 tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra, and  an edgeedge with one F(9)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the ninth F site, F(9) is bonded to one Ba(2), one Ba(3), one Ba(6), and one Nd(5) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Nd2 tetrahedra,  an edgeedge with one F(8)Ba2Nd2 tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the tenth F site, F(10) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one Nd(1), and one Nd(2) atom. In the eleventh F site, F(11) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Nd(3) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Ba(2), one Nd(1), and one Nd(4) atom. In the thirteenth F site, F(13) is bonded to one Ba(2), one Ba(6), one Nd(3), and one Nd(4) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Nd2 tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra, and  an edgeedge with one F(9)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Nd(1) and one Nd(5) atom. In the fifteenth F site, F(15) is bonded to one Ba(3), one Ba(4), one Ba(8), and one Nd(3) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Nd2 tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra,  an edgeedge with one F(6)Ba3Nd tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra,  an edgeedge with one F(33)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the sixteenth F site, F(16) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), one Nd(2), and one Nd(4) atom. In the seventeenth F site, F(17) is bonded in a distorted bent 150 degrees geometry to one Ba(6), one Nd(2), and one Nd(3) atom. In the eighteenth F site, F(18) is bonded in a distorted bent 150 degrees geometry to one Ba(8), one Nd(4), and one Nd(5) atom. In the nineteenth F site, F(19) is bonded in a distorted trigonal non-coplanar geometry to one Nd(2), one Nd(4), and one Nd(6) atom. In the twentieth F site, F(20) is bonded in a distorted bent 150 degrees geometry to one Ba(7), one Nd(3), and one Nd(5) atom. In the twenty-first F site, F(21) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Nd(4) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Nd2 tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(31)Ba3Nd tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the twenty-second F site, F(22) is bonded in a distorted bent 120 degrees geometry to one Ba(5), one Ba(6), one Nd(2), and one Nd(6) atom. In the twenty-third F site, F(23) is bonded to one Ba(3), one Ba(7), one Nd(3), and one Nd(4) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Nd2 tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra, and  an edgeedge with one F(31)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the twenty-fourth F site, F(24) is bonded in a 2-coordinate geometry to one Ba(6), one Ba(7), one Nd(3), and one Nd(6) atom. In the twenty-fifth F site, F(25) is bonded in a distorted bent 120 degrees geometry to one Ba(5), one Ba(8), one Nd(4), and one Nd(6) atom. In the twenty-sixth F site, F(26) is bonded in a 2-coordinate geometry to one Ba(7), one Ba(8), one Nd(5), and one Nd(6) atom. In the twenty-seventh F site, F(27) is bonded to one Ba(3), one Ba(6), one Ba(7), and one Nd(2) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Nd2 tetrahedra,  an edgeedge with one F(28)Ba2Nd2 tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra,  an edgeedge with one F(9)Ba3Nd tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the twenty-eighth F site, F(28) is bonded to one Ba(5), one Ba(7), one Nd(2), and one Nd(5) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Nd2 tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra, and  an edgeedge with one F(34)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the twenty-ninth F site, F(29) is bonded to one Ba(5), one Ba(6), one Ba(8), and one Nd(5) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Nd2 tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(6)Ba3Nd tetrahedra,  an edgeedge with one F(9)Ba3Nd tetrahedra,  an edgeedge with one F(33)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the thirtieth F site, F(30) is bonded to one Ba(1), one Ba(4), one Ba(6), and one Nd(6) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Nd2 tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra,  an edgeedge with one F(33)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the thirty-first F site, F(31) is bonded to one Ba(1), one Ba(7), one Ba(8), and one Nd(4) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Nd2 tetrahedra,  an edgeedge with one F(32)Ba2Nd2 tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the thirty-second F site, F(32) is bonded to one Ba(1), one Ba(7), one Nd(1), and one Nd(6) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Nd2 tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(31)Ba3Nd tetrahedra, and  an edgeedge with one F(34)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the thirty-third F site, F(33) is bonded to one Ba(4), one Ba(6), one Ba(7), and one Ba(8) atom to form FBa4 tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(31)Ba3Nd tetrahedra,  an edgeedge with one F(34)Ba3Nd tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the thirty-fourth F site, F(34) is bonded to one Ba(4), one Ba(5), one Ba(7), and one Nd(1) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Nd2 tetrahedra,  an edgeedge with one F(32)Ba2Nd2 tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(6)Ba3Nd tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. is represented by the CIF card [CIF]
data_Ba4Nd3F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.575
_cell_length_b   9.592
_cell_length_c   9.656
_cell_angle_alpha   73.020
_cell_angle_beta   72.873
_cell_angle_gamma   73.077
_symmetry_Int_Tables_number   1
_cell_volume   789.857
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.892  0.046  0.312  1.0
  Ba  Ba1  1  0.268  0.262  0.266  1.0
  Ba  Ba2  1  0.050  0.310  0.893  1.0
  Ba  Ba3  1  0.692  0.103  0.957  1.0
  Ba  Ba4  1  0.310  0.892  0.051  1.0
  Ba  Ba5  1  0.948  0.688  0.113  1.0
  Ba  Ba6  1  0.738  0.732  0.734  1.0
  Ba  Ba7  1  0.110  0.944  0.687  1.0
  Nd  Nd8  1  0.469  0.157  0.611  1.0
  Nd  Nd9  1  0.606  0.473  0.170  1.0
  Nd  Nd10  1  0.844  0.389  0.532  1.0
  Nd  Nd11  1  0.182  0.611  0.464  1.0
  Nd  Nd12  1  0.389  0.532  0.840  1.0
  Nd  Nd13  1  0.526  0.821  0.391  1.0
  F  F14  1  0.994  0.001  0.006  1.0
  F  F15  1  0.452  0.018  0.178  1.0
  F  F16  1  0.137  0.140  0.137  1.0
  F  F17  1  0.359  0.041  0.491  1.0
  F  F18  1  0.020  0.176  0.453  1.0
  F  F19  1  0.258  0.081  0.789  1.0
  F  F20  1  0.784  0.261  0.090  1.0
  F  F21  1  0.493  0.355  0.043  1.0
  F  F22  1  0.177  0.450  0.020  1.0
  F  F23  1  0.544  0.261  0.350  1.0
  F  F24  1  0.704  0.206  0.582  1.0
  F  F25  1  0.262  0.345  0.545  1.0
  F  F26  1  0.049  0.489  0.359  1.0
  F  F27  1  0.412  0.298  0.794  1.0
  F  F28  1  0.917  0.211  0.742  1.0
  F  F29  1  0.339  0.548  0.238  1.0
  F  F30  1  0.799  0.420  0.296  1.0
  F  F31  1  0.199  0.591  0.708  1.0
  F  F32  1  0.462  0.572  0.447  1.0
  F  F33  1  0.652  0.457  0.736  1.0
  F  F34  1  0.085  0.786  0.261  1.0
  F  F35  1  0.593  0.720  0.176  1.0
  F  F36  1  0.964  0.508  0.642  1.0
  F  F37  1  0.745  0.650  0.454  1.0
  F  F38  1  0.271  0.834  0.407  1.0
  F  F39  1  0.449  0.746  0.658  1.0
  F  F40  1  0.823  0.545  0.982  1.0
  F  F41  1  0.511  0.642  0.955  1.0
  F  F42  1  0.210  0.741  0.919  1.0
  F  F43  1  0.737  0.912  0.219  1.0
  F  F44  1  0.981  0.818  0.549  1.0
  F  F45  1  0.643  0.951  0.511  1.0
  F  F46  1  0.864  0.860  0.862  1.0
  F  F47  1  0.549  0.980  0.823  1.0
[/CIF]
.
The compound described by Ba4Nd3F17 crystallizes in the triclinic P1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one F(1), one F(21), one F(3), one F(30), one F(31), one F(32), one F(5), and one F(7) atom. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(10), one F(12), one F(13), one F(16), one F(2), one F(3), one F(4), one F(5), one F(8), and one F(9) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one F(1), one F(15), one F(23), one F(27), one F(3), one F(6), one F(7), and one F(9) atom. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one F(1), one F(15), one F(2), one F(30), one F(33), one F(34), one F(7), and one F(8) atom. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one F(1), one F(16), one F(2), one F(21), one F(22), one F(25), one F(28), one F(29), one F(3), one F(34), and one F(6) atom. In the sixth Ba site, Ba(6) is bonded in a 11-coordinate geometry to one F(1), one F(13), one F(17), one F(21), one F(22), one F(24), one F(27), one F(29), one F(30), one F(33), and one F(9) atom. In the seventh Ba site, Ba(7) is bonded in a 10-coordinate geometry to one F(20), one F(23), one F(24), one F(26), one F(27), one F(28), one F(31), one F(32), one F(33), and one F(34) atom. In the eighth Ba site, Ba(8) is bonded in a 11-coordinate geometry to one F(1), one F(15), one F(18), one F(25), one F(26), one F(29), one F(31), one F(33), one F(4), one F(5), and one F(6) atom. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one F(10), one F(11), one F(12), one F(14), one F(32), one F(34), one F(4), and one F(6) atom. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one F(10), one F(16), one F(17), one F(19), one F(22), one F(27), one F(28), one F(7), and one F(8) atom. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one F(11), one F(13), one F(15), one F(17), one F(20), one F(23), one F(24), and one F(5) atom. In the fourth Nd site, Nd(4) is bonded in a 9-coordinate geometry to one F(12), one F(13), one F(16), one F(18), one F(19), one F(21), one F(23), one F(25), and one F(31) atom. In the fifth Nd site, Nd(5) is bonded in a 8-coordinate geometry to one F(14), one F(18), one F(20), one F(26), one F(28), one F(29), one F(8), and one F(9) atom. In the sixth Nd site, Nd(6) is bonded in a 9-coordinate geometry to one F(19), one F(2), one F(22), one F(24), one F(25), one F(26), one F(30), one F(32), and one F(4) atom. There are thirty-four inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(3), one Ba(4), one Ba(5), one Ba(6), and one Ba(8) atom to form FBa6 octahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra, corners with two equivalent F(2)Ba3Nd tetrahedra, corners with two equivalent F(27)Ba3Nd tetrahedra, corners with two equivalent F(31)Ba3Nd tetrahedra, corners with two equivalent F(34)Ba3Nd tetrahedra, corners with two equivalent F(5)Ba3Nd tetrahedra, corners with two equivalent F(9)Ba3Nd tetrahedra,  a faceface with one F(15)Ba3Nd tetrahedra,  a faceface with one F(21)Ba3Nd tetrahedra,  a faceface with one F(29)Ba3Nd tetrahedra,  a faceface with one F(30)Ba3Nd tetrahedra,  a faceface with one F(6)Ba3Nd tetrahedra,  a faceface with one F(7)Ba3Nd tetrahedra,  a faceface with one F(3)Ba4 tetrahedra, and  a faceface with one F(33)Ba4 tetrahedra. In the second F site, F(2) is bonded to one Ba(2), one Ba(4), one Ba(5), and one Nd(6) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Nd2 tetrahedra,  an edgeedge with one F(8)Ba2Nd2 tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(34)Ba3Nd tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third F site, F(3) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ba(5) atom to form FBa4 tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra,  an edgeedge with one F(6)Ba3Nd tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra,  an edgeedge with one F(9)Ba3Nd tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the fourth F site, F(4) is bonded to one Ba(2), one Ba(8), one Nd(1), and one Nd(6) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Nd2 tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra, and  an edgeedge with one F(6)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fifth F site, F(5) is bonded to one Ba(1), one Ba(2), one Ba(8), and one Nd(3) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Nd2 tetrahedra,  an edgeedge with one F(4)Ba2Nd2 tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(31)Ba3Nd tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the sixth F site, F(6) is bonded to one Ba(3), one Ba(5), one Ba(8), and one Nd(1) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Nd2 tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra,  an edgeedge with one F(34)Ba3Nd tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the seventh F site, F(7) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Nd(2) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Nd2 tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the eighth F site, F(8) is bonded to one Ba(2), one Ba(4), one Nd(2), and one Nd(5) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Nd2 tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra, and  an edgeedge with one F(9)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the ninth F site, F(9) is bonded to one Ba(2), one Ba(3), one Ba(6), and one Nd(5) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Nd2 tetrahedra,  an edgeedge with one F(8)Ba2Nd2 tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the tenth F site, F(10) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one Nd(1), and one Nd(2) atom. In the eleventh F site, F(11) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one Nd(3) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Ba(2), one Nd(1), and one Nd(4) atom. In the thirteenth F site, F(13) is bonded to one Ba(2), one Ba(6), one Nd(3), and one Nd(4) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Nd2 tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra, and  an edgeedge with one F(9)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Nd(1) and one Nd(5) atom. In the fifteenth F site, F(15) is bonded to one Ba(3), one Ba(4), one Ba(8), and one Nd(3) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Nd2 tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra,  an edgeedge with one F(6)Ba3Nd tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra,  an edgeedge with one F(33)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the sixteenth F site, F(16) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), one Nd(2), and one Nd(4) atom. In the seventeenth F site, F(17) is bonded in a distorted bent 150 degrees geometry to one Ba(6), one Nd(2), and one Nd(3) atom. In the eighteenth F site, F(18) is bonded in a distorted bent 150 degrees geometry to one Ba(8), one Nd(4), and one Nd(5) atom. In the nineteenth F site, F(19) is bonded in a distorted trigonal non-coplanar geometry to one Nd(2), one Nd(4), and one Nd(6) atom. In the twentieth F site, F(20) is bonded in a distorted bent 150 degrees geometry to one Ba(7), one Nd(3), and one Nd(5) atom. In the twenty-first F site, F(21) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Nd(4) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Nd2 tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(31)Ba3Nd tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the twenty-second F site, F(22) is bonded in a distorted bent 120 degrees geometry to one Ba(5), one Ba(6), one Nd(2), and one Nd(6) atom. In the twenty-third F site, F(23) is bonded to one Ba(3), one Ba(7), one Nd(3), and one Nd(4) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Nd2 tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra, and  an edgeedge with one F(31)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the twenty-fourth F site, F(24) is bonded in a 2-coordinate geometry to one Ba(6), one Ba(7), one Nd(3), and one Nd(6) atom. In the twenty-fifth F site, F(25) is bonded in a distorted bent 120 degrees geometry to one Ba(5), one Ba(8), one Nd(4), and one Nd(6) atom. In the twenty-sixth F site, F(26) is bonded in a 2-coordinate geometry to one Ba(7), one Ba(8), one Nd(5), and one Nd(6) atom. In the twenty-seventh F site, F(27) is bonded to one Ba(3), one Ba(6), one Ba(7), and one Nd(2) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Nd2 tetrahedra,  an edgeedge with one F(28)Ba2Nd2 tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra,  an edgeedge with one F(9)Ba3Nd tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the twenty-eighth F site, F(28) is bonded to one Ba(5), one Ba(7), one Nd(2), and one Nd(5) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Nd2 tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra, and  an edgeedge with one F(34)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the twenty-ninth F site, F(29) is bonded to one Ba(5), one Ba(6), one Ba(8), and one Nd(5) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Nd2 tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(6)Ba3Nd tetrahedra,  an edgeedge with one F(9)Ba3Nd tetrahedra,  an edgeedge with one F(33)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the thirtieth F site, F(30) is bonded to one Ba(1), one Ba(4), one Ba(6), and one Nd(6) atom to form FBa3Nd tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Nd2 tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(7)Ba3Nd tetrahedra,  an edgeedge with one F(33)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the thirty-first F site, F(31) is bonded to one Ba(1), one Ba(7), one Ba(8), and one Nd(4) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(34)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Nd2 tetrahedra,  an edgeedge with one F(32)Ba2Nd2 tetrahedra,  an edgeedge with one F(21)Ba3Nd tetrahedra,  an edgeedge with one F(5)Ba3Nd tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the thirty-second F site, F(32) is bonded to one Ba(1), one Ba(7), one Nd(1), and one Nd(6) atom to form FBa2Nd2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Nd2 tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(31)Ba3Nd tetrahedra, and  an edgeedge with one F(34)Ba3Nd tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the thirty-third F site, F(33) is bonded to one Ba(4), one Ba(6), one Ba(7), and one Ba(8) atom to form FBa4 tetrahedra that share  a cornercorner with one F(13)Ba2Nd2 tetrahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(28)Ba2Nd2 tetrahedra,  a cornercorner with one F(32)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(2)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(5)Ba3Nd tetrahedra,  a cornercorner with one F(6)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(9)Ba3Nd tetrahedra,  an edgeedge with one F(15)Ba3Nd tetrahedra,  an edgeedge with one F(27)Ba3Nd tetrahedra,  an edgeedge with one F(29)Ba3Nd tetrahedra,  an edgeedge with one F(30)Ba3Nd tetrahedra,  an edgeedge with one F(31)Ba3Nd tetrahedra,  an edgeedge with one F(34)Ba3Nd tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the thirty-fourth F site, F(34) is bonded to one Ba(4), one Ba(5), one Ba(7), and one Nd(1) atom to form FBa3Nd tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Nd2 tetrahedra,  a cornercorner with one F(4)Ba2Nd2 tetrahedra,  a cornercorner with one F(8)Ba2Nd2 tetrahedra,  a cornercorner with one F(15)Ba3Nd tetrahedra,  a cornercorner with one F(21)Ba3Nd tetrahedra,  a cornercorner with one F(27)Ba3Nd tetrahedra,  a cornercorner with one F(29)Ba3Nd tetrahedra,  a cornercorner with one F(30)Ba3Nd tetrahedra,  a cornercorner with one F(31)Ba3Nd tetrahedra,  a cornercorner with one F(7)Ba3Nd tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Nd2 tetrahedra,  an edgeedge with one F(32)Ba2Nd2 tetrahedra,  an edgeedge with one F(2)Ba3Nd tetrahedra,  an edgeedge with one F(6)Ba3Nd tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. is represented by the CIF card [CIF]
data_Ba4Nd3F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.575
_cell_length_b   9.592
_cell_length_c   9.656
_cell_angle_alpha   73.020
_cell_angle_beta   72.873
_cell_angle_gamma   73.077
_symmetry_Int_Tables_number   1
_cell_volume   789.857
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.892  0.046  0.312  1.0
  Ba  Ba1  1  0.268  0.262  0.266  1.0
  Ba  Ba2  1  0.050  0.310  0.893  1.0
  Ba  Ba3  1  0.692  0.103  0.957  1.0
  Ba  Ba4  1  0.310  0.892  0.051  1.0
  Ba  Ba5  1  0.948  0.688  0.113  1.0
  Ba  Ba6  1  0.738  0.732  0.734  1.0
  Ba  Ba7  1  0.110  0.944  0.687  1.0
  Nd  Nd8  1  0.469  0.157  0.611  1.0
  Nd  Nd9  1  0.606  0.473  0.170  1.0
  Nd  Nd10  1  0.844  0.389  0.532  1.0
  Nd  Nd11  1  0.182  0.611  0.464  1.0
  Nd  Nd12  1  0.389  0.532  0.840  1.0
  Nd  Nd13  1  0.526  0.821  0.391  1.0
  F  F14  1  0.994  0.001  0.006  1.0
  F  F15  1  0.452  0.018  0.178  1.0
  F  F16  1  0.137  0.140  0.137  1.0
  F  F17  1  0.359  0.041  0.491  1.0
  F  F18  1  0.020  0.176  0.453  1.0
  F  F19  1  0.258  0.081  0.789  1.0
  F  F20  1  0.784  0.261  0.090  1.0
  F  F21  1  0.493  0.355  0.043  1.0
  F  F22  1  0.177  0.450  0.020  1.0
  F  F23  1  0.544  0.261  0.350  1.0
  F  F24  1  0.704  0.206  0.582  1.0
  F  F25  1  0.262  0.345  0.545  1.0
  F  F26  1  0.049  0.489  0.359  1.0
  F  F27  1  0.412  0.298  0.794  1.0
  F  F28  1  0.917  0.211  0.742  1.0
  F  F29  1  0.339  0.548  0.238  1.0
  F  F30  1  0.799  0.420  0.296  1.0
  F  F31  1  0.199  0.591  0.708  1.0
  F  F32  1  0.462  0.572  0.447  1.0
  F  F33  1  0.652  0.457  0.736  1.0
  F  F34  1  0.085  0.786  0.261  1.0
  F  F35  1  0.593  0.720  0.176  1.0
  F  F36  1  0.964  0.508  0.642  1.0
  F  F37  1  0.745  0.650  0.454  1.0
  F  F38  1  0.271  0.834  0.407  1.0
  F  F39  1  0.449  0.746  0.658  1.0
  F  F40  1  0.823  0.545  0.982  1.0
  F  F41  1  0.511  0.642  0.955  1.0
  F  F42  1  0.210  0.741  0.919  1.0
  F  F43  1  0.737  0.912  0.219  1.0
  F  F44  1  0.981  0.818  0.549  1.0
  F  F45  1  0.643  0.951  0.511  1.0
  F  F46  1  0.864  0.860  0.862  1.0
  F  F47  1  0.549  0.980  0.823  1.0
[/CIF]
.