The crystal structure described by Ba4Bi3F17 crystallizes in the triclinic P1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(10), one F(11), one F(16), one F(21), one F(3), one F(30), one F(31), one F(32), one F(5), and one F(9) 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(17), one F(2), one F(3), one F(4), one F(5), one F(7), and one F(8) atom. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one F(1), one F(12), one F(14), one F(15), one F(20), one F(23), one F(29), 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 11-coordinate geometry to one F(1), one F(11), one F(14), one F(15), one F(19), one F(2), one F(30), one F(33), one F(34), one F(8), and one F(9) atom. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one F(1), one F(17), one F(2), one F(21), one F(22), one F(25), one F(27), one F(28), 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(16), one F(21), one F(22), one F(24), one F(27), one F(29), one F(30), one F(33), and one F(7) atom. In the seventh Ba site, Ba(7) is bonded in a 10-coordinate geometry to one F(19), one F(23), one F(24), one F(26), one F(28), one F(29), 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(20), one F(25), one F(26), one F(27), one F(31), one F(33), one F(4), one F(5), and one F(6) atom. There are six inequivalent Bi sites. In the first Bi site, Bi(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 Bi site, Bi(2) is bonded in a 8-coordinate geometry to one F(10), one F(16), one F(17), one F(22), one F(28), one F(29), one F(8), and one F(9) atom. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one F(11), one F(13), one F(15), one F(16), one F(19), one F(23), one F(24), and one F(5) atom. In the fourth Bi site, Bi(4) is bonded in a 9-coordinate geometry to one F(12), one F(13), one F(17), one F(18), one F(20), one F(21), one F(23), one F(25), and one F(31) atom. In the fifth Bi site, Bi(5) is bonded in a 9-coordinate geometry to one F(14), one F(18), one F(19), one F(20), one F(26), one F(27), one F(28), one F(7), and one F(8) atom. In the sixth Bi site, Bi(6) is bonded in a 8-coordinate geometry to 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)Ba2Bi2 tetrahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra, corners with two equivalent F(2)Ba3Bi tetrahedra, corners with two equivalent F(29)Ba3Bi tetrahedra, corners with two equivalent F(31)Ba3Bi tetrahedra, corners with two equivalent F(34)Ba3Bi tetrahedra, corners with two equivalent F(5)Ba3Bi tetrahedra, corners with two equivalent F(7)Ba3Bi tetrahedra,  a faceface with one F(15)Ba3Bi tetrahedra,  a faceface with one F(21)Ba3Bi tetrahedra,  a faceface with one F(27)Ba3Bi tetrahedra,  a faceface with one F(30)Ba3Bi tetrahedra,  a faceface with one F(6)Ba3Bi tetrahedra,  a faceface with one F(9)Ba3Bi 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 Bi(6) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Bi2 tetrahedra,  an edgeedge with one F(8)Ba2Bi2 tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(34)Ba3Bi tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. 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)Ba2Bi2 tetrahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra,  an edgeedge with one F(6)Ba3Bi tetrahedra,  an edgeedge with one F(7)Ba3Bi tetrahedra,  an edgeedge with one F(9)Ba3Bi 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 Bi(1), and one Bi(6) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Bi2 tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra, and  an edgeedge with one F(6)Ba3Bi 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 Bi(3) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Bi2 tetrahedra,  an edgeedge with one F(4)Ba2Bi2 tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(31)Ba3Bi tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the sixth F site, F(6) is bonded to one Ba(3), one Ba(5), one Ba(8), and one Bi(1) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Bi2 tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(34)Ba3Bi 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(2), one Ba(3), one Ba(6), and one Bi(5) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Bi2 tetrahedra,  an edgeedge with one F(8)Ba2Bi2 tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the eighth F site, F(8) is bonded to one Ba(2), one Ba(4), one Bi(2), and one Bi(5) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Bi2 tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(7)Ba3Bi tetrahedra, and  an edgeedge with one F(9)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the ninth F site, F(9) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Bi(2) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Bi2 tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Bi(1), and one Bi(2) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Bi(1), and one Bi(3) atom. In the twelfth F site, F(12) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Bi(1), and one Bi(4) atom. In the thirteenth F site, F(13) is bonded to one Ba(2), one Ba(6), one Bi(3), and one Bi(4) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Bi2 tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra, and  an edgeedge with one F(7)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), one Bi(1), and one Bi(5) atom. In the fifteenth F site, F(15) is bonded to one Ba(3), one Ba(4), one Ba(8), and one Bi(3) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Bi2 tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra,  an edgeedge with one F(6)Ba3Bi tetrahedra,  an edgeedge with one F(9)Ba3Bi 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 distorted bent 150 degrees geometry to one Ba(1), one Ba(6), one Bi(2), and one Bi(3) atom. In the seventeenth F site, F(17) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one Bi(2), and one Bi(4) atom. In the eighteenth F site, F(18) is bonded in a bent 120 degrees geometry to one Bi(4) and one Bi(5) atom. In the nineteenth F site, F(19) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(7), one Bi(3), and one Bi(5) atom. In the twentieth F site, F(20) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(8), one Bi(4), and one Bi(5) atom. In the twenty-first F site, F(21) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Bi(4) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Bi2 tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(31)Ba3Bi 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 2-coordinate geometry to one Ba(5), one Ba(6), one Bi(2), and one Bi(6) atom. In the twenty-third F site, F(23) is bonded to one Ba(3), one Ba(7), one Bi(3), and one Bi(4) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Bi2 tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra, and  an edgeedge with one F(31)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the twenty-fourth F site, F(24) is bonded in a 4-coordinate geometry to one Ba(6), one Ba(7), one Bi(3), and one Bi(6) atom. In the twenty-fifth F site, F(25) is bonded in a 4-coordinate geometry to one Ba(5), one Ba(8), one Bi(4), and one Bi(6) atom. In the twenty-sixth F site, F(26) is bonded in a 4-coordinate geometry to one Ba(7), one Ba(8), one Bi(5), and one Bi(6) atom. In the twenty-seventh F site, F(27) is bonded to one Ba(5), one Ba(6), one Ba(8), and one Bi(5) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Bi2 tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(6)Ba3Bi tetrahedra,  an edgeedge with one F(7)Ba3Bi tetrahedra,  an edgeedge with one F(33)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the twenty-eighth F site, F(28) is bonded to one Ba(5), one Ba(7), one Bi(2), and one Bi(5) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Bi2 tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra, and  an edgeedge with one F(34)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the twenty-ninth F site, F(29) is bonded to one Ba(3), one Ba(6), one Ba(7), and one Bi(2) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Bi2 tetrahedra,  an edgeedge with one F(28)Ba2Bi2 tetrahedra,  an edgeedge with one F(7)Ba3Bi tetrahedra,  an edgeedge with one F(9)Ba3Bi tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the thirtieth F site, F(30) is bonded to one Ba(1), one Ba(4), one Ba(6), and one Bi(6) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Bi2 tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(9)Ba3Bi 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 Bi(4) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Bi2 tetrahedra,  an edgeedge with one F(32)Ba2Bi2 tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the thirty-second F site, F(32) is bonded to one Ba(1), one Ba(7), one Bi(1), and one Bi(6) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Bi2 tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(31)Ba3Bi tetrahedra, and  an edgeedge with one F(34)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 59°. 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)Ba2Bi2 tetrahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(31)Ba3Bi tetrahedra,  an edgeedge with one F(34)Ba3Bi 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 Bi(1) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Bi2 tetrahedra,  an edgeedge with one F(32)Ba2Bi2 tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(6)Ba3Bi tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. is represented by the CIF card [CIF]
data_Ba4Bi3F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.434
_cell_length_b   9.474
_cell_length_c   9.533
_cell_angle_alpha   72.735
_cell_angle_beta   72.779
_cell_angle_gamma   72.939
_symmetry_Int_Tables_number   1
_cell_volume   757.222
_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  0.308  0.893  0.053  1.0
  Ba  Ba1  1  0.263  0.270  0.270  1.0
  Ba  Ba2  1  0.887  0.063  0.311  1.0
  Ba  Ba3  1  0.938  0.689  0.115  1.0
  Ba  Ba4  1  0.059  0.314  0.881  1.0
  Ba  Ba5  1  0.112  0.948  0.687  1.0
  Ba  Ba6  1  0.730  0.736  0.732  1.0
  Ba  Ba7  1  0.690  0.112  0.942  1.0
  Bi  Bi8  1  0.615  0.465  0.160  1.0
  Bi  Bi9  1  0.153  0.616  0.465  1.0
  Bi  Bi10  1  0.532  0.846  0.386  1.0
  Bi  Bi11  1  0.474  0.178  0.612  1.0
  Bi  Bi12  1  0.815  0.384  0.539  1.0
  Bi  Bi13  1  0.385  0.533  0.839  1.0
  F  F14  1  0.004  0.000  0.996  1.0
  F  F15  1  0.177  0.457  0.019  1.0
  F  F16  1  0.139  0.144  0.137  1.0
  F  F17  1  0.489  0.358  0.046  1.0
  F  F18  1  0.453  0.021  0.177  1.0
  F  F19  1  0.788  0.264  0.075  1.0
  F  F20  1  0.019  0.178  0.453  1.0
  F  F21  1  0.040  0.496  0.357  1.0
  F  F22  1  0.076  0.790  0.262  1.0
  F  F23  1  0.343  0.549  0.258  1.0
  F  F24  1  0.601  0.706  0.198  1.0
  F  F25  1  0.557  0.247  0.338  1.0
  F  F26  1  0.357  0.046  0.488  1.0
  F  F27  1  0.811  0.399  0.287  1.0
  F  F28  1  0.738  0.925  0.212  1.0
  F  F29  1  0.292  0.804  0.405  1.0
  F  F30  1  0.256  0.347  0.551  1.0
  F  F31  1  0.552  0.419  0.538  1.0
  F  F32  1  0.741  0.655  0.452  1.0
  F  F33  1  0.732  0.158  0.609  1.0
  F  F34  1  0.265  0.084  0.781  1.0
  F  F35  1  0.197  0.590  0.708  1.0
  F  F36  1  0.643  0.956  0.506  1.0
  F  F37  1  0.450  0.743  0.655  1.0
  F  F38  1  0.400  0.284  0.820  1.0
  F  F39  1  0.663  0.445  0.761  1.0
  F  F40  1  0.921  0.216  0.736  1.0
  F  F41  1  0.953  0.514  0.642  1.0
  F  F42  1  0.980  0.825  0.545  1.0
  F  F43  1  0.214  0.737  0.919  1.0
  F  F44  1  0.545  0.982  0.826  1.0
  F  F45  1  0.506  0.645  0.958  1.0
  F  F46  1  0.862  0.858  0.862  1.0
  F  F47  1  0.821  0.547  0.980  1.0
[/CIF]
.
The crystal structure described by Ba4Bi3F17 crystallizes in the triclinic P1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(10), one F(11), one F(16), one F(21), one F(3), one F(30), one F(31), one F(32), one F(5), and one F(9) 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(17), one F(2), one F(3), one F(4), one F(5), one F(7), and one F(8) atom. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one F(1), one F(12), one F(14), one F(15), one F(20), one F(23), one F(29), 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 11-coordinate geometry to one F(1), one F(11), one F(14), one F(15), one F(19), one F(2), one F(30), one F(33), one F(34), one F(8), and one F(9) atom. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one F(1), one F(17), one F(2), one F(21), one F(22), one F(25), one F(27), one F(28), 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(16), one F(21), one F(22), one F(24), one F(27), one F(29), one F(30), one F(33), and one F(7) atom. In the seventh Ba site, Ba(7) is bonded in a 10-coordinate geometry to one F(19), one F(23), one F(24), one F(26), one F(28), one F(29), 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(20), one F(25), one F(26), one F(27), one F(31), one F(33), one F(4), one F(5), and one F(6) atom. There are six inequivalent Bi sites. In the first Bi site, Bi(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 Bi site, Bi(2) is bonded in a 8-coordinate geometry to one F(10), one F(16), one F(17), one F(22), one F(28), one F(29), one F(8), and one F(9) atom. In the third Bi site, Bi(3) is bonded in a 8-coordinate geometry to one F(11), one F(13), one F(15), one F(16), one F(19), one F(23), one F(24), and one F(5) atom. In the fourth Bi site, Bi(4) is bonded in a 9-coordinate geometry to one F(12), one F(13), one F(17), one F(18), one F(20), one F(21), one F(23), one F(25), and one F(31) atom. In the fifth Bi site, Bi(5) is bonded in a 9-coordinate geometry to one F(14), one F(18), one F(19), one F(20), one F(26), one F(27), one F(28), one F(7), and one F(8) atom. In the sixth Bi site, Bi(6) is bonded in a 8-coordinate geometry to 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)Ba2Bi2 tetrahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra, corners with two equivalent F(2)Ba3Bi tetrahedra, corners with two equivalent F(29)Ba3Bi tetrahedra, corners with two equivalent F(31)Ba3Bi tetrahedra, corners with two equivalent F(34)Ba3Bi tetrahedra, corners with two equivalent F(5)Ba3Bi tetrahedra, corners with two equivalent F(7)Ba3Bi tetrahedra,  a faceface with one F(15)Ba3Bi tetrahedra,  a faceface with one F(21)Ba3Bi tetrahedra,  a faceface with one F(27)Ba3Bi tetrahedra,  a faceface with one F(30)Ba3Bi tetrahedra,  a faceface with one F(6)Ba3Bi tetrahedra,  a faceface with one F(9)Ba3Bi 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 Bi(6) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Bi2 tetrahedra,  an edgeedge with one F(8)Ba2Bi2 tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(34)Ba3Bi tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. 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)Ba2Bi2 tetrahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra,  an edgeedge with one F(6)Ba3Bi tetrahedra,  an edgeedge with one F(7)Ba3Bi tetrahedra,  an edgeedge with one F(9)Ba3Bi 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 Bi(1), and one Bi(6) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Bi2 tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra, and  an edgeedge with one F(6)Ba3Bi 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 Bi(3) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Bi2 tetrahedra,  an edgeedge with one F(4)Ba2Bi2 tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(31)Ba3Bi tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the sixth F site, F(6) is bonded to one Ba(3), one Ba(5), one Ba(8), and one Bi(1) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Bi2 tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(34)Ba3Bi 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(2), one Ba(3), one Ba(6), and one Bi(5) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Bi2 tetrahedra,  an edgeedge with one F(8)Ba2Bi2 tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the eighth F site, F(8) is bonded to one Ba(2), one Ba(4), one Bi(2), and one Bi(5) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Bi2 tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(7)Ba3Bi tetrahedra, and  an edgeedge with one F(9)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the ninth F site, F(9) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Bi(2) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Bi2 tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(3)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Bi(1), and one Bi(2) atom. In the eleventh F site, F(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Bi(1), and one Bi(3) atom. In the twelfth F site, F(12) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Bi(1), and one Bi(4) atom. In the thirteenth F site, F(13) is bonded to one Ba(2), one Ba(6), one Bi(3), and one Bi(4) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Bi2 tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra, and  an edgeedge with one F(7)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(4), one Bi(1), and one Bi(5) atom. In the fifteenth F site, F(15) is bonded to one Ba(3), one Ba(4), one Ba(8), and one Bi(3) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Bi2 tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra,  an edgeedge with one F(6)Ba3Bi tetrahedra,  an edgeedge with one F(9)Ba3Bi 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 distorted bent 150 degrees geometry to one Ba(1), one Ba(6), one Bi(2), and one Bi(3) atom. In the seventeenth F site, F(17) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one Bi(2), and one Bi(4) atom. In the eighteenth F site, F(18) is bonded in a bent 120 degrees geometry to one Bi(4) and one Bi(5) atom. In the nineteenth F site, F(19) is bonded in a 4-coordinate geometry to one Ba(4), one Ba(7), one Bi(3), and one Bi(5) atom. In the twentieth F site, F(20) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(8), one Bi(4), and one Bi(5) atom. In the twenty-first F site, F(21) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Bi(4) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Bi2 tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(31)Ba3Bi 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 2-coordinate geometry to one Ba(5), one Ba(6), one Bi(2), and one Bi(6) atom. In the twenty-third F site, F(23) is bonded to one Ba(3), one Ba(7), one Bi(3), and one Bi(4) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Bi2 tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra, and  an edgeedge with one F(31)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the twenty-fourth F site, F(24) is bonded in a 4-coordinate geometry to one Ba(6), one Ba(7), one Bi(3), and one Bi(6) atom. In the twenty-fifth F site, F(25) is bonded in a 4-coordinate geometry to one Ba(5), one Ba(8), one Bi(4), and one Bi(6) atom. In the twenty-sixth F site, F(26) is bonded in a 4-coordinate geometry to one Ba(7), one Ba(8), one Bi(5), and one Bi(6) atom. In the twenty-seventh F site, F(27) is bonded to one Ba(5), one Ba(6), one Ba(8), and one Bi(5) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Bi2 tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(6)Ba3Bi tetrahedra,  an edgeedge with one F(7)Ba3Bi tetrahedra,  an edgeedge with one F(33)Ba4 tetrahedra, and  a faceface with one F(1)Ba6 octahedra. In the twenty-eighth F site, F(28) is bonded to one Ba(5), one Ba(7), one Bi(2), and one Bi(5) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Bi2 tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra, and  an edgeedge with one F(34)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the twenty-ninth F site, F(29) is bonded to one Ba(3), one Ba(6), one Ba(7), and one Bi(2) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Bi2 tetrahedra,  an edgeedge with one F(28)Ba2Bi2 tetrahedra,  an edgeedge with one F(7)Ba3Bi tetrahedra,  an edgeedge with one F(9)Ba3Bi tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the thirtieth F site, F(30) is bonded to one Ba(1), one Ba(4), one Ba(6), and one Bi(6) atom to form FBa3Bi tetrahedra that share  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Bi2 tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(9)Ba3Bi 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 Bi(4) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(34)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Bi2 tetrahedra,  an edgeedge with one F(32)Ba2Bi2 tetrahedra,  an edgeedge with one F(21)Ba3Bi tetrahedra,  an edgeedge with one F(5)Ba3Bi tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the thirty-second F site, F(32) is bonded to one Ba(1), one Ba(7), one Bi(1), and one Bi(6) atom to form FBa2Bi2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Bi2 tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(31)Ba3Bi tetrahedra, and  an edgeedge with one F(34)Ba3Bi tetrahedra. The corner-sharing octahedral tilt angles are 59°. 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)Ba2Bi2 tetrahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(28)Ba2Bi2 tetrahedra,  a cornercorner with one F(32)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(2)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(5)Ba3Bi tetrahedra,  a cornercorner with one F(6)Ba3Bi tetrahedra,  a cornercorner with one F(7)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  an edgeedge with one F(15)Ba3Bi tetrahedra,  an edgeedge with one F(27)Ba3Bi tetrahedra,  an edgeedge with one F(29)Ba3Bi tetrahedra,  an edgeedge with one F(30)Ba3Bi tetrahedra,  an edgeedge with one F(31)Ba3Bi tetrahedra,  an edgeedge with one F(34)Ba3Bi 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 Bi(1) atom to form FBa3Bi tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Bi2 tetrahedra,  a cornercorner with one F(4)Ba2Bi2 tetrahedra,  a cornercorner with one F(8)Ba2Bi2 tetrahedra,  a cornercorner with one F(15)Ba3Bi tetrahedra,  a cornercorner with one F(21)Ba3Bi tetrahedra,  a cornercorner with one F(27)Ba3Bi tetrahedra,  a cornercorner with one F(29)Ba3Bi tetrahedra,  a cornercorner with one F(30)Ba3Bi tetrahedra,  a cornercorner with one F(31)Ba3Bi tetrahedra,  a cornercorner with one F(9)Ba3Bi tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Bi2 tetrahedra,  an edgeedge with one F(32)Ba2Bi2 tetrahedra,  an edgeedge with one F(2)Ba3Bi tetrahedra,  an edgeedge with one F(6)Ba3Bi tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. is represented by the CIF card [CIF]
data_Ba4Bi3F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.434
_cell_length_b   9.474
_cell_length_c   9.533
_cell_angle_alpha   72.735
_cell_angle_beta   72.779
_cell_angle_gamma   72.939
_symmetry_Int_Tables_number   1
_cell_volume   757.222
_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  0.308  0.893  0.053  1.0
  Ba  Ba1  1  0.263  0.270  0.270  1.0
  Ba  Ba2  1  0.887  0.063  0.311  1.0
  Ba  Ba3  1  0.938  0.689  0.115  1.0
  Ba  Ba4  1  0.059  0.314  0.881  1.0
  Ba  Ba5  1  0.112  0.948  0.687  1.0
  Ba  Ba6  1  0.730  0.736  0.732  1.0
  Ba  Ba7  1  0.690  0.112  0.942  1.0
  Bi  Bi8  1  0.615  0.465  0.160  1.0
  Bi  Bi9  1  0.153  0.616  0.465  1.0
  Bi  Bi10  1  0.532  0.846  0.386  1.0
  Bi  Bi11  1  0.474  0.178  0.612  1.0
  Bi  Bi12  1  0.815  0.384  0.539  1.0
  Bi  Bi13  1  0.385  0.533  0.839  1.0
  F  F14  1  0.004  0.000  0.996  1.0
  F  F15  1  0.177  0.457  0.019  1.0
  F  F16  1  0.139  0.144  0.137  1.0
  F  F17  1  0.489  0.358  0.046  1.0
  F  F18  1  0.453  0.021  0.177  1.0
  F  F19  1  0.788  0.264  0.075  1.0
  F  F20  1  0.019  0.178  0.453  1.0
  F  F21  1  0.040  0.496  0.357  1.0
  F  F22  1  0.076  0.790  0.262  1.0
  F  F23  1  0.343  0.549  0.258  1.0
  F  F24  1  0.601  0.706  0.198  1.0
  F  F25  1  0.557  0.247  0.338  1.0
  F  F26  1  0.357  0.046  0.488  1.0
  F  F27  1  0.811  0.399  0.287  1.0
  F  F28  1  0.738  0.925  0.212  1.0
  F  F29  1  0.292  0.804  0.405  1.0
  F  F30  1  0.256  0.347  0.551  1.0
  F  F31  1  0.552  0.419  0.538  1.0
  F  F32  1  0.741  0.655  0.452  1.0
  F  F33  1  0.732  0.158  0.609  1.0
  F  F34  1  0.265  0.084  0.781  1.0
  F  F35  1  0.197  0.590  0.708  1.0
  F  F36  1  0.643  0.956  0.506  1.0
  F  F37  1  0.450  0.743  0.655  1.0
  F  F38  1  0.400  0.284  0.820  1.0
  F  F39  1  0.663  0.445  0.761  1.0
  F  F40  1  0.921  0.216  0.736  1.0
  F  F41  1  0.953  0.514  0.642  1.0
  F  F42  1  0.980  0.825  0.545  1.0
  F  F43  1  0.214  0.737  0.919  1.0
  F  F44  1  0.545  0.982  0.826  1.0
  F  F45  1  0.506  0.645  0.958  1.0
  F  F46  1  0.862  0.858  0.862  1.0
  F  F47  1  0.821  0.547  0.980  1.0
[/CIF]
.