The compound described by Ba4Y3F17 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(17), 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(16), 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(19), 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(2), one F(20), 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(16), 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(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(7) 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(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(19), 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 Y sites. In the first Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(6) is bonded in a 8-coordinate geometry to one F(18), 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)Ba2Y2 tetrahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra, corners with two equivalent F(2)Ba3Y tetrahedra, corners with two equivalent F(29)Ba3Y tetrahedra, corners with two equivalent F(31)Ba3Y tetrahedra, corners with two equivalent F(34)Ba3Y tetrahedra, corners with two equivalent F(5)Ba3Y tetrahedra, corners with two equivalent F(7)Ba3Y tetrahedra,  a faceface with one F(15)Ba3Y tetrahedra,  a faceface with one F(21)Ba3Y tetrahedra,  a faceface with one F(27)Ba3Y tetrahedra,  a faceface with one F(30)Ba3Y tetrahedra,  a faceface with one F(6)Ba3Y tetrahedra,  a faceface with one F(9)Ba3Y 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 Y(6) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Y2 tetrahedra,  an edgeedge with one F(8)Ba2Y2 tetrahedra,  an edgeedge with one F(30)Ba3Y tetrahedra,  an edgeedge with one F(34)Ba3Y 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)Ba2Y2 tetrahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra,  an edgeedge with one F(6)Ba3Y tetrahedra,  an edgeedge with one F(7)Ba3Y tetrahedra,  an edgeedge with one F(9)Ba3Y 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 Y(1), and one Y(6) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra, and  an edgeedge with one F(6)Ba3Y 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 Y(3) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Y2 tetrahedra,  an edgeedge with one F(4)Ba2Y2 tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(31)Ba3Y tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. In the sixth F site, F(6) is bonded to one Ba(3), one Ba(5), one Ba(8), and one Y(1) atom to form FBa3Y tetrahedra that share  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Y2 tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(34)Ba3Y 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 Y(5) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Y2 tetrahedra,  an edgeedge with one F(8)Ba2Y2 tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the eighth F site, F(8) is bonded to one Ba(2), one Ba(4), one Y(2), and one Y(5) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(7)Ba3Y tetrahedra, and  an edgeedge with one F(9)Ba3Y tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the ninth F site, F(9) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted FBa3Y tetrahedra that share  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Y2 tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra,  an edgeedge with one F(30)Ba3Y 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 distorted bent 150 degrees geometry to one Ba(1), one Ba(2), one Y(1), and one Y(2) atom. In the eleventh F site, F(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(4), one Y(1), and one Y(3) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), one Y(1), and one Y(4) atom. In the thirteenth F site, F(13) is bonded to one Ba(2), one Ba(6), one Y(3), and one Y(4) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Y2 tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra, and  an edgeedge with one F(7)Ba3Y tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fourteenth F site, F(14) is bonded in a distorted bent 150 degrees geometry to one Ba(3), one Ba(4), one Y(1), and one Y(5) atom. In the fifteenth F site, F(15) is bonded to one Ba(3), one Ba(4), one Ba(8), and one Y(3) atom to form FBa3Y tetrahedra that share  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Y2 tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra,  an edgeedge with one F(6)Ba3Y tetrahedra,  an edgeedge with one F(9)Ba3Y 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 Y(2), and one Y(4) atom. In the seventeenth F site, F(17) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(6), one Y(2), and one Y(3) atom. In the eighteenth F site, F(18) is bonded in a distorted water-like geometry to one Y(4), one Y(5), and one Y(6) atom. In the nineteenth F site, F(19) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Ba(8), one Y(4), and one Y(5) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ba(4), one Ba(7), one Y(3), and one Y(5) atom. In the twenty-first F site, F(21) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Y(4) atom to form distorted FBa3Y tetrahedra that share  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Y2 tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(30)Ba3Y tetrahedra,  an edgeedge with one F(31)Ba3Y 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 150 degrees geometry to one Ba(5), one Ba(6), one Y(2), and one Y(6) atom. In the twenty-third F site, F(23) is bonded to one Ba(3), one Ba(7), one Y(3), and one Y(4) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Y2 tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra, and  an edgeedge with one F(31)Ba3Y tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the twenty-fourth F site, F(24) is bonded in a distorted bent 150 degrees geometry to one Ba(6), one Ba(7), one Y(3), and one Y(6) atom. In the twenty-fifth F site, F(25) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(8), one Y(4), and one Y(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 Y(5), and one Y(6) atom. In the twenty-seventh F site, F(27) is bonded to one Ba(5), one Ba(6), one Ba(8), and one Y(5) atom to form FBa3Y tetrahedra that share  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Y2 tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(6)Ba3Y tetrahedra,  an edgeedge with one F(7)Ba3Y 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 Y(2), and one Y(5) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Y2 tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra, and  an edgeedge with one F(34)Ba3Y 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 Y(2) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Y2 tetrahedra,  an edgeedge with one F(28)Ba2Y2 tetrahedra,  an edgeedge with one F(7)Ba3Y tetrahedra,  an edgeedge with one F(9)Ba3Y tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-65°. In the thirtieth F site, F(30) is bonded to one Ba(1), one Ba(4), one Ba(6), and one Y(6) atom to form distorted FBa3Y tetrahedra that share  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(9)Ba3Y 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 Y(4) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Y2 tetrahedra,  an edgeedge with one F(32)Ba2Y2 tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the thirty-second F site, F(32) is bonded to one Ba(1), one Ba(7), one Y(1), and one Y(6) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Y2 tetrahedra,  an edgeedge with one F(30)Ba3Y tetrahedra,  an edgeedge with one F(31)Ba3Y tetrahedra, and  an edgeedge with one F(34)Ba3Y 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)Ba2Y2 tetrahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra,  an edgeedge with one F(30)Ba3Y tetrahedra,  an edgeedge with one F(31)Ba3Y tetrahedra,  an edgeedge with one F(34)Ba3Y 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 Y(1) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Y2 tetrahedra,  an edgeedge with one F(32)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(6)Ba3Y tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Y3F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.309
_cell_length_b   9.289
_cell_length_c   9.375
_cell_angle_alpha   72.824
_cell_angle_beta   72.847
_cell_angle_gamma   72.958
_symmetry_Int_Tables_number   1
_cell_volume   721.009
_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  0.108  0.690  0.951  1.0
  Ba  Ba1  1  0.729  0.736  0.731  1.0
  Ba  Ba2  1  0.939  0.116  0.686  1.0
  Ba  Ba3  1  0.313  0.056  0.887  1.0
  Ba  Ba4  1  0.684  0.943  0.118  1.0
  Ba  Ba5  1  0.051  0.887  0.315  1.0
  Ba  Ba6  1  0.264  0.270  0.269  1.0
  Ba  Ba7  1  0.886  0.313  0.057  1.0
  Y  Y8  1  0.532  0.391  0.838  1.0
  Y  Y9  1  0.390  0.842  0.532  1.0
  Y  Y10  1  0.159  0.470  0.609  1.0
  Y  Y11  1  0.818  0.525  0.393  1.0
  Y  Y12  1  0.610  0.186  0.464  1.0
  Y  Y13  1  0.473  0.606  0.170  1.0
  F  F14  1  0.001  0.995  0.005  1.0
  F  F15  1  0.543  0.817  0.987  1.0
  F  F16  1  0.857  0.863  0.862  1.0
  F  F17  1  0.636  0.511  0.956  1.0
  F  F18  1  0.987  0.549  0.816  1.0
  F  F19  1  0.734  0.217  0.919  1.0
  F  F20  1  0.810  0.989  0.548  1.0
  F  F21  1  0.507  0.966  0.636  1.0
  F  F22  1  0.216  0.916  0.735  1.0
  F  F23  1  0.455  0.651  0.735  1.0
  F  F24  1  0.304  0.410  0.788  1.0
  F  F25  1  0.742  0.449  0.656  1.0
  F  F26  1  0.955  0.639  0.513  1.0
  F  F27  1  0.593  0.204  0.703  1.0
  F  F28  1  0.082  0.266  0.782  1.0
  F  F29  1  0.648  0.740  0.455  1.0
  F  F30  1  0.212  0.698  0.584  1.0
  F  F31  1  0.570  0.461  0.452  1.0
  F  F32  1  0.831  0.276  0.401  1.0
  F  F33  1  0.347  0.265  0.545  1.0
  F  F34  1  0.910  0.731  0.227  1.0
  F  F35  1  0.418  0.792  0.302  1.0
  F  F36  1  0.039  0.365  0.491  1.0
  F  F37  1  0.265  0.544  0.351  1.0
  F  F38  1  0.714  0.594  0.181  1.0
  F  F39  1  0.550  0.341  0.241  1.0
  F  F40  1  0.778  0.085  0.268  1.0
  F  F41  1  0.487  0.046  0.364  1.0
  F  F42  1  0.183  0.014  0.455  1.0
  F  F43  1  0.267  0.779  0.091  1.0
  F  F44  1  0.012  0.455  0.184  1.0
  F  F45  1  0.360  0.493  0.039  1.0
  F  F46  1  0.141  0.139  0.138  1.0
  F  F47  1  0.451  0.186  0.014  1.0
[/CIF]
.
The compound described by Ba4Y3F17 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(17), 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(16), 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(19), 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(2), one F(20), 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(16), 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(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(7) 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(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(19), 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 Y sites. In the first Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(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 Y site, Y(6) is bonded in a 8-coordinate geometry to one F(18), 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)Ba2Y2 tetrahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra, corners with two equivalent F(2)Ba3Y tetrahedra, corners with two equivalent F(29)Ba3Y tetrahedra, corners with two equivalent F(31)Ba3Y tetrahedra, corners with two equivalent F(34)Ba3Y tetrahedra, corners with two equivalent F(5)Ba3Y tetrahedra, corners with two equivalent F(7)Ba3Y tetrahedra,  a faceface with one F(15)Ba3Y tetrahedra,  a faceface with one F(21)Ba3Y tetrahedra,  a faceface with one F(27)Ba3Y tetrahedra,  a faceface with one F(30)Ba3Y tetrahedra,  a faceface with one F(6)Ba3Y tetrahedra,  a faceface with one F(9)Ba3Y 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 Y(6) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Y2 tetrahedra,  an edgeedge with one F(8)Ba2Y2 tetrahedra,  an edgeedge with one F(30)Ba3Y tetrahedra,  an edgeedge with one F(34)Ba3Y 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)Ba2Y2 tetrahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra,  an edgeedge with one F(6)Ba3Y tetrahedra,  an edgeedge with one F(7)Ba3Y tetrahedra,  an edgeedge with one F(9)Ba3Y 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 Y(1), and one Y(6) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra, and  an edgeedge with one F(6)Ba3Y 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 Y(3) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Y2 tetrahedra,  an edgeedge with one F(4)Ba2Y2 tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(31)Ba3Y tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-64°. In the sixth F site, F(6) is bonded to one Ba(3), one Ba(5), one Ba(8), and one Y(1) atom to form FBa3Y tetrahedra that share  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Y2 tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(34)Ba3Y 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 Y(5) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Y2 tetrahedra,  an edgeedge with one F(8)Ba2Y2 tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra, and  an edgeedge with one F(3)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the eighth F site, F(8) is bonded to one Ba(2), one Ba(4), one Y(2), and one Y(5) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(7)Ba3Y tetrahedra, and  an edgeedge with one F(9)Ba3Y tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the ninth F site, F(9) is bonded to one Ba(1), one Ba(3), one Ba(4), and one Y(2) atom to form distorted FBa3Y tetrahedra that share  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Y2 tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra,  an edgeedge with one F(30)Ba3Y 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 distorted bent 150 degrees geometry to one Ba(1), one Ba(2), one Y(1), and one Y(2) atom. In the eleventh F site, F(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(4), one Y(1), and one Y(3) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(3), one Y(1), and one Y(4) atom. In the thirteenth F site, F(13) is bonded to one Ba(2), one Ba(6), one Y(3), and one Y(4) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Y2 tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra, and  an edgeedge with one F(7)Ba3Y tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the fourteenth F site, F(14) is bonded in a distorted bent 150 degrees geometry to one Ba(3), one Ba(4), one Y(1), and one Y(5) atom. In the fifteenth F site, F(15) is bonded to one Ba(3), one Ba(4), one Ba(8), and one Y(3) atom to form FBa3Y tetrahedra that share  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Y2 tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra,  an edgeedge with one F(6)Ba3Y tetrahedra,  an edgeedge with one F(9)Ba3Y 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 Y(2), and one Y(4) atom. In the seventeenth F site, F(17) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(6), one Y(2), and one Y(3) atom. In the eighteenth F site, F(18) is bonded in a distorted water-like geometry to one Y(4), one Y(5), and one Y(6) atom. In the nineteenth F site, F(19) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Ba(8), one Y(4), and one Y(5) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ba(4), one Ba(7), one Y(3), and one Y(5) atom. In the twenty-first F site, F(21) is bonded to one Ba(1), one Ba(5), one Ba(6), and one Y(4) atom to form distorted FBa3Y tetrahedra that share  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Y2 tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(30)Ba3Y tetrahedra,  an edgeedge with one F(31)Ba3Y 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 150 degrees geometry to one Ba(5), one Ba(6), one Y(2), and one Y(6) atom. In the twenty-third F site, F(23) is bonded to one Ba(3), one Ba(7), one Y(3), and one Y(4) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(13)Ba2Y2 tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra, and  an edgeedge with one F(31)Ba3Y tetrahedra. The corner-sharing octahedral tilt angles are 59°. In the twenty-fourth F site, F(24) is bonded in a distorted bent 150 degrees geometry to one Ba(6), one Ba(7), one Y(3), and one Y(6) atom. In the twenty-fifth F site, F(25) is bonded in a 2-coordinate geometry to one Ba(5), one Ba(8), one Y(4), and one Y(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 Y(5), and one Y(6) atom. In the twenty-seventh F site, F(27) is bonded to one Ba(5), one Ba(6), one Ba(8), and one Y(5) atom to form FBa3Y tetrahedra that share  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Y2 tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(6)Ba3Y tetrahedra,  an edgeedge with one F(7)Ba3Y 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 Y(2), and one Y(5) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(8)Ba2Y2 tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra, and  an edgeedge with one F(34)Ba3Y 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 Y(2) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Y2 tetrahedra,  an edgeedge with one F(28)Ba2Y2 tetrahedra,  an edgeedge with one F(7)Ba3Y tetrahedra,  an edgeedge with one F(9)Ba3Y tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-65°. In the thirtieth F site, F(30) is bonded to one Ba(1), one Ba(4), one Ba(6), and one Y(6) atom to form distorted FBa3Y tetrahedra that share  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(32)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(9)Ba3Y 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 Y(4) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(13)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(34)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(23)Ba2Y2 tetrahedra,  an edgeedge with one F(32)Ba2Y2 tetrahedra,  an edgeedge with one F(21)Ba3Y tetrahedra,  an edgeedge with one F(5)Ba3Y tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-63°. In the thirty-second F site, F(32) is bonded to one Ba(1), one Ba(7), one Y(1), and one Y(6) atom to form FBa2Y2 tetrahedra that share  a cornercorner with one F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  a cornercorner with one F(33)Ba4 tetrahedra,  an edgeedge with one F(4)Ba2Y2 tetrahedra,  an edgeedge with one F(30)Ba3Y tetrahedra,  an edgeedge with one F(31)Ba3Y tetrahedra, and  an edgeedge with one F(34)Ba3Y 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)Ba2Y2 tetrahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(28)Ba2Y2 tetrahedra,  a cornercorner with one F(32)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(2)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(5)Ba3Y tetrahedra,  a cornercorner with one F(6)Ba3Y tetrahedra,  a cornercorner with one F(7)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  an edgeedge with one F(15)Ba3Y tetrahedra,  an edgeedge with one F(27)Ba3Y tetrahedra,  an edgeedge with one F(29)Ba3Y tetrahedra,  an edgeedge with one F(30)Ba3Y tetrahedra,  an edgeedge with one F(31)Ba3Y tetrahedra,  an edgeedge with one F(34)Ba3Y 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 Y(1) atom to form FBa3Y tetrahedra that share corners with two equivalent F(1)Ba6 octahedra,  a cornercorner with one F(23)Ba2Y2 tetrahedra,  a cornercorner with one F(4)Ba2Y2 tetrahedra,  a cornercorner with one F(8)Ba2Y2 tetrahedra,  a cornercorner with one F(15)Ba3Y tetrahedra,  a cornercorner with one F(21)Ba3Y tetrahedra,  a cornercorner with one F(27)Ba3Y tetrahedra,  a cornercorner with one F(29)Ba3Y tetrahedra,  a cornercorner with one F(30)Ba3Y tetrahedra,  a cornercorner with one F(31)Ba3Y tetrahedra,  a cornercorner with one F(9)Ba3Y tetrahedra,  a cornercorner with one F(3)Ba4 tetrahedra,  an edgeedge with one F(28)Ba2Y2 tetrahedra,  an edgeedge with one F(32)Ba2Y2 tetrahedra,  an edgeedge with one F(2)Ba3Y tetrahedra,  an edgeedge with one F(6)Ba3Y tetrahedra, and  an edgeedge with one F(33)Ba4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Y3F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.309
_cell_length_b   9.289
_cell_length_c   9.375
_cell_angle_alpha   72.824
_cell_angle_beta   72.847
_cell_angle_gamma   72.958
_symmetry_Int_Tables_number   1
_cell_volume   721.009
_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  0.108  0.690  0.951  1.0
  Ba  Ba1  1  0.729  0.736  0.731  1.0
  Ba  Ba2  1  0.939  0.116  0.686  1.0
  Ba  Ba3  1  0.313  0.056  0.887  1.0
  Ba  Ba4  1  0.684  0.943  0.118  1.0
  Ba  Ba5  1  0.051  0.887  0.315  1.0
  Ba  Ba6  1  0.264  0.270  0.269  1.0
  Ba  Ba7  1  0.886  0.313  0.057  1.0
  Y  Y8  1  0.532  0.391  0.838  1.0
  Y  Y9  1  0.390  0.842  0.532  1.0
  Y  Y10  1  0.159  0.470  0.609  1.0
  Y  Y11  1  0.818  0.525  0.393  1.0
  Y  Y12  1  0.610  0.186  0.464  1.0
  Y  Y13  1  0.473  0.606  0.170  1.0
  F  F14  1  0.001  0.995  0.005  1.0
  F  F15  1  0.543  0.817  0.987  1.0
  F  F16  1  0.857  0.863  0.862  1.0
  F  F17  1  0.636  0.511  0.956  1.0
  F  F18  1  0.987  0.549  0.816  1.0
  F  F19  1  0.734  0.217  0.919  1.0
  F  F20  1  0.810  0.989  0.548  1.0
  F  F21  1  0.507  0.966  0.636  1.0
  F  F22  1  0.216  0.916  0.735  1.0
  F  F23  1  0.455  0.651  0.735  1.0
  F  F24  1  0.304  0.410  0.788  1.0
  F  F25  1  0.742  0.449  0.656  1.0
  F  F26  1  0.955  0.639  0.513  1.0
  F  F27  1  0.593  0.204  0.703  1.0
  F  F28  1  0.082  0.266  0.782  1.0
  F  F29  1  0.648  0.740  0.455  1.0
  F  F30  1  0.212  0.698  0.584  1.0
  F  F31  1  0.570  0.461  0.452  1.0
  F  F32  1  0.831  0.276  0.401  1.0
  F  F33  1  0.347  0.265  0.545  1.0
  F  F34  1  0.910  0.731  0.227  1.0
  F  F35  1  0.418  0.792  0.302  1.0
  F  F36  1  0.039  0.365  0.491  1.0
  F  F37  1  0.265  0.544  0.351  1.0
  F  F38  1  0.714  0.594  0.181  1.0
  F  F39  1  0.550  0.341  0.241  1.0
  F  F40  1  0.778  0.085  0.268  1.0
  F  F41  1  0.487  0.046  0.364  1.0
  F  F42  1  0.183  0.014  0.455  1.0
  F  F43  1  0.267  0.779  0.091  1.0
  F  F44  1  0.012  0.455  0.184  1.0
  F  F45  1  0.360  0.493  0.039  1.0
  F  F46  1  0.141  0.139  0.138  1.0
  F  F47  1  0.451  0.186  0.014  1.0
[/CIF]
.