The material structure described by Li4CoOF5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(1), one F(17), and two equivalent F(15) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(4)O2F4 octahedra,  a cornercorner with one Li(5)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(10)OF5 trigonal bipyramid, corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Li(15)OF5 trigonal bipyramids, edges with two equivalent Co(1)O2F4 octahedra,  an edgeedge with one Li(13)OF5 trigonal bipyramid,  an edgeedge with one Li(9)OF5 trigonal bipyramid, and edges with two equivalent Li(7)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the second Li site, Li(2) is bonded to one O(1), one F(18), one F(2), and two equivalent F(16) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Li(5)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(9)OF5 trigonal bipyramid, corners with two equivalent Li(2)OF4 trigonal bipyramids, edges with two equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(10)OF5 trigonal bipyramid,  an edgeedge with one Li(14)OF5 trigonal bipyramid, and edges with two equivalent Li(8)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the third Li site, Li(3) is bonded to one O(4), one F(19), one F(3), and two equivalent F(14) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(1)O2F4 octahedra,  a cornercorner with one Li(7)OF4 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Li(3)OF4 trigonal bipyramids, corners with two equivalent Li(14)OF5 trigonal bipyramids, edges with two equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(15)OF5 trigonal bipyramid, and edges with two equivalent Li(6)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the fourth Li site, Li(4) is bonded to one O(3), one F(20), one F(4), and two equivalent F(13) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(3)O2F4 octahedra,  a cornercorner with one Li(7)OF4 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Li(4)OF4 trigonal bipyramids, corners with two equivalent Li(13)OF5 trigonal bipyramids, edges with two equivalent Co(4)O2F4 octahedra, and edges with two equivalent Li(5)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the fifth Li site, Li(5) is bonded to one O(1), one F(1), one F(13), and two equivalent F(20) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(4)O2F4 octahedra,  a cornercorner with one Li(1)OF4 trigonal bipyramid,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(14)OF5 trigonal bipyramid, corners with two equivalent Li(5)OF4 trigonal bipyramids, edges with two equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(13)OF5 trigonal bipyramid,  an edgeedge with one Li(9)OF5 trigonal bipyramid, and edges with two equivalent Li(4)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the sixth Li site, Li(6) is bonded to one O(2), one F(14), one F(2), and two equivalent F(19) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Li(1)OF4 trigonal bipyramid,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(13)OF5 trigonal bipyramid, corners with two equivalent Li(6)OF4 trigonal bipyramids, edges with two equivalent Co(1)O2F4 octahedra,  an edgeedge with one Li(10)OF5 trigonal bipyramid,  an edgeedge with one Li(14)OF5 trigonal bipyramid, and edges with two equivalent Li(3)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the seventh Li site, Li(7) is bonded to one O(3), one F(15), one F(3), and two equivalent F(17) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(1)O2F4 octahedra,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(4)OF4 trigonal bipyramid, corners with two equivalent Li(7)OF4 trigonal bipyramids, corners with two equivalent Li(9)OF5 trigonal bipyramids, edges with two equivalent Co(4)O2F4 octahedra,  an edgeedge with one Li(15)OF5 trigonal bipyramid, and edges with two equivalent Li(1)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the eighth Li site, Li(8) is bonded to one O(4), one F(16), one F(4), and two equivalent F(18) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(3)O2F4 octahedra,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  a cornercorner with one Li(15)OF5 trigonal bipyramid, corners with two equivalent Li(8)OF4 trigonal bipyramids, corners with two equivalent Li(10)OF5 trigonal bipyramids, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Li(2)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the ninth Li site, Li(9) is bonded to one O(1), one F(1), one F(12), one F(17), and two equivalent F(5) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(13)OF5 trigonal bipyramid,  a cornercorner with one Li(14)OF5 trigonal bipyramid, corners with two equivalent Li(7)OF4 trigonal bipyramids, corners with two equivalent Li(9)OF5 trigonal bipyramids,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(1)OF4 trigonal bipyramid, and  an edgeedge with one Li(5)OF4 trigonal bipyramid. In the tenth Li site, Li(10) is bonded to one O(2), one F(11), one F(18), one F(2), and two equivalent F(6) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(1)OF4 trigonal bipyramid,  a cornercorner with one Li(13)OF5 trigonal bipyramid,  a cornercorner with one Li(14)OF5 trigonal bipyramid, corners with two equivalent Li(8)OF4 trigonal bipyramids, corners with two equivalent Li(10)OF5 trigonal bipyramids,  an edgeedge with one Co(2)O2F4 octahedra, edges with two equivalent Co(1)O2F4 octahedra,  an edgeedge with one Li(2)OF4 trigonal bipyramid,  an edgeedge with one Li(6)OF4 trigonal bipyramid, and edges with two equivalent Li(15)OF5 trigonal bipyramids. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(3), one F(19), one F(3), one F(9), and two equivalent F(7) atoms. In the twelfth Li site, Li(12) is bonded in a 6-coordinate geometry to one O(4), one F(10), one F(20), one F(4), and two equivalent F(8) atoms. In the thirteenth Li site, Li(13) is bonded to one O(2), one F(1), one F(13), one F(7), and two equivalent F(9) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(10)OF5 trigonal bipyramid,  a cornercorner with one Li(9)OF5 trigonal bipyramid, corners with two equivalent Li(4)OF4 trigonal bipyramids, corners with two equivalent Li(13)OF5 trigonal bipyramids,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Co(1)O2F4 octahedra,  an edgeedge with one Li(1)OF4 trigonal bipyramid, and  an edgeedge with one Li(5)OF4 trigonal bipyramid. In the fourteenth Li site, Li(14) is bonded to one O(1), one F(14), one F(2), one F(8), and two equivalent F(10) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(5)OF4 trigonal bipyramid,  a cornercorner with one Li(10)OF5 trigonal bipyramid,  a cornercorner with one Li(9)OF5 trigonal bipyramid, corners with two equivalent Li(3)OF4 trigonal bipyramids, corners with two equivalent Li(14)OF5 trigonal bipyramids,  an edgeedge with one Co(2)O2F4 octahedra, edges with two equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(2)OF4 trigonal bipyramid, and  an edgeedge with one Li(6)OF4 trigonal bipyramid. In the fifteenth Li site, Li(15) is bonded to one O(4), one F(15), one F(3), one F(6), and two equivalent F(11) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Li(15)OF5 trigonal bipyramids,  an edgeedge with one Co(1)O2F4 octahedra, edges with two equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(3)OF4 trigonal bipyramid,  an edgeedge with one Li(7)OF4 trigonal bipyramid, and edges with two equivalent Li(10)OF5 trigonal bipyramids. In the sixteenth Li site, Li(16) is bonded in a 6-coordinate geometry to one O(3), one F(16), one F(4), one F(5), and two equivalent F(12) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), one F(15), one F(19), one F(6), and one F(9) atom to form CoO2F4 octahedra that share corners with two equivalent Co(1)O2F4 octahedra,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(7)OF4 trigonal bipyramid,  an edgeedge with one Li(15)OF5 trigonal bipyramid, edges with two equivalent Li(1)OF4 trigonal bipyramids, edges with two equivalent Li(6)OF4 trigonal bipyramids, edges with two equivalent Li(10)OF5 trigonal bipyramids, and edges with two equivalent Li(13)OF5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(4), one F(11), one F(14), one F(18), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(2)O2F4 octahedra,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  an edgeedge with one Li(10)OF5 trigonal bipyramid,  an edgeedge with one Li(14)OF5 trigonal bipyramid, edges with two equivalent Li(3)OF4 trigonal bipyramids, edges with two equivalent Li(8)OF4 trigonal bipyramids, and edges with two equivalent Li(15)OF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. In the third Co site, Co(3) is bonded to two equivalent O(1), one F(10), one F(16), one F(20), and one F(5) atom to form CoO2F4 octahedra that share corners with two equivalent Co(3)O2F4 octahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, edges with two equivalent Li(2)OF4 trigonal bipyramids, edges with two equivalent Li(5)OF4 trigonal bipyramids, edges with two equivalent Li(14)OF5 trigonal bipyramids, and edges with two equivalent Li(9)OF5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the fourth Co site, Co(4) is bonded to two equivalent O(3), one F(12), one F(13), one F(17), and one F(7) atom to form CoO2F4 octahedra that share corners with two equivalent Co(4)O2F4 octahedra,  a cornercorner with one Li(1)OF4 trigonal bipyramid,  a cornercorner with one Li(5)OF4 trigonal bipyramid,  an edgeedge with one Li(13)OF5 trigonal bipyramid,  an edgeedge with one Li(9)OF5 trigonal bipyramid, edges with two equivalent Li(4)OF4 trigonal bipyramids, and edges with two equivalent Li(7)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(14), one Li(2), one Li(5), one Li(9), and two equivalent Co(3) atoms to form distorted OLi4Co2 octahedra that share corners with two equivalent O(1)Li4Co2 octahedra,  a cornercorner with one F(13)Li4Co trigonal bipyramid,  a cornercorner with one F(14)Li4Co trigonal bipyramid,  a cornercorner with one F(17)Li4Co trigonal bipyramid,  a cornercorner with one F(18)Li4Co trigonal bipyramid,  a cornercorner with one F(12)Li3Co trigonal pyramid,  a cornercorner with one F(8)Li3Co trigonal pyramid, edges with two equivalent F(16)Li4Co trigonal bipyramids, edges with two equivalent F(20)Li4Co trigonal bipyramids, edges with two equivalent F(10)Li3Co trigonal pyramids, and edges with two equivalent F(5)Li3Co trigonal pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(10), one Li(13), one Li(6), and two equivalent Co(1) atoms to form distorted OLi4Co2 octahedra that share corners with two equivalent O(2)Li4Co2 octahedra,  a cornercorner with one F(13)Li4Co trigonal bipyramid,  a cornercorner with one F(14)Li4Co trigonal bipyramid,  a cornercorner with one F(17)Li4Co trigonal bipyramid,  a cornercorner with one F(18)Li4Co trigonal bipyramid,  a cornercorner with one F(11)Li3Co trigonal pyramid,  a cornercorner with one F(7)Li3Co trigonal pyramid, edges with two equivalent F(15)Li4Co trigonal bipyramids, edges with two equivalent F(19)Li4Co trigonal bipyramids, edges with two equivalent F(6)Li3Co trigonal pyramids, and edges with two equivalent F(9)Li3Co trigonal pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(11), one Li(16), one Li(4), one Li(7), and two equivalent Co(4) atoms to form distorted OLi4Co2 octahedra that share corners with two equivalent O(3)Li4Co2 octahedra,  a cornercorner with one F(15)Li4Co trigonal bipyramid,  a cornercorner with one F(16)Li4Co trigonal bipyramid,  a cornercorner with one F(19)Li4Co trigonal bipyramid,  a cornercorner with one F(20)Li4Co trigonal bipyramid,  a cornercorner with one F(5)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li3Co trigonal pyramid, edges with two equivalent F(13)Li4Co trigonal bipyramids, edges with two equivalent F(17)Li4Co trigonal bipyramids, edges with two equivalent F(12)Li3Co trigonal pyramids, and edges with two equivalent F(7)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(12), one Li(15), one Li(3), one Li(8), and two equivalent Co(2) atoms. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to one Li(1), one Li(13), one Li(5), and one Li(9) atom. In the second F site, F(2) is bonded in a square co-planar geometry to one Li(10), one Li(14), one Li(2), and one Li(6) atom. In the third F site, F(3) is bonded in a square co-planar geometry to one Li(11), one Li(15), one Li(3), and one Li(7) atom. In the fourth F site, F(4) is bonded in a square co-planar geometry to one Li(12), one Li(16), one Li(4), and one Li(8) atom. In the fifth F site, F(5) is bonded to one Li(16), two equivalent Li(9), and one Co(3) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(20)Li4Co trigonal bipyramid, corners with two equivalent F(17)Li4Co trigonal bipyramids,  a cornercorner with one F(10)Li3Co trigonal pyramid, corners with two equivalent F(5)Li3Co trigonal pyramids, edges with two equivalent O(1)Li4Co2 octahedra,  an edgeedge with one F(16)Li4Co trigonal bipyramid, and edges with two equivalent F(12)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 87°. In the sixth F site, F(6) is bonded to one Li(15), two equivalent Li(10), and one Co(1) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one F(19)Li4Co trigonal bipyramid, corners with two equivalent F(18)Li4Co trigonal bipyramids,  a cornercorner with one F(9)Li3Co trigonal pyramid, corners with two equivalent F(6)Li3Co trigonal pyramids, edges with two equivalent O(2)Li4Co2 octahedra,  an edgeedge with one F(15)Li4Co trigonal bipyramid, and edges with two equivalent F(11)Li3Co trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(13), two equivalent Li(11), and one Co(4) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(17)Li4Co trigonal bipyramid, corners with two equivalent F(19)Li4Co trigonal bipyramids,  a cornercorner with one F(12)Li3Co trigonal pyramid, corners with two equivalent F(7)Li3Co trigonal pyramids, edges with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one F(13)Li4Co trigonal bipyramid, and edges with two equivalent F(9)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 89°. In the eighth F site, F(8) is bonded to one Li(14), two equivalent Li(12), and one Co(2) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one F(18)Li4Co trigonal bipyramid, corners with two equivalent F(20)Li4Co trigonal bipyramids,  a cornercorner with one F(11)Li3Co trigonal pyramid, corners with two equivalent F(8)Li3Co trigonal pyramids,  an edgeedge with one F(14)Li4Co trigonal bipyramid, and edges with two equivalent F(10)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 89°. In the ninth F site, F(9) is bonded to one Li(11), two equivalent Li(13), and one Co(1) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(15)Li4Co trigonal bipyramid, corners with two equivalent F(13)Li4Co trigonal bipyramids,  a cornercorner with one F(6)Li3Co trigonal pyramid, corners with two equivalent F(9)Li3Co trigonal pyramids, edges with two equivalent O(2)Li4Co2 octahedra,  an edgeedge with one F(19)Li4Co trigonal bipyramid, and edges with two equivalent F(7)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 89°. In the tenth F site, F(10) is bonded to one Li(12), two equivalent Li(14), and one Co(3) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one F(16)Li4Co trigonal bipyramid, corners with two equivalent F(14)Li4Co trigonal bipyramids,  a cornercorner with one F(5)Li3Co trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids, edges with two equivalent O(1)Li4Co2 octahedra,  an edgeedge with one F(20)Li4Co trigonal bipyramid, and edges with two equivalent F(8)Li3Co trigonal pyramids. In the eleventh F site, F(11) is bonded to one Li(10), two equivalent Li(15), and one Co(2) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(14)Li4Co trigonal bipyramid, corners with two equivalent F(15)Li4Co trigonal bipyramids,  a cornercorner with one F(8)Li3Co trigonal pyramid, corners with two equivalent F(11)Li3Co trigonal pyramids,  an edgeedge with one F(18)Li4Co trigonal bipyramid, and edges with two equivalent F(6)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 88°. In the twelfth F site, F(12) is bonded to one Li(9), two equivalent Li(16), and one Co(4) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one F(13)Li4Co trigonal bipyramid, corners with two equivalent F(16)Li4Co trigonal bipyramids,  a cornercorner with one F(7)Li3Co trigonal pyramid, corners with two equivalent F(12)Li3Co trigonal pyramids, edges with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one F(17)Li4Co trigonal bipyramid, and edges with two equivalent F(5)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 89°. In the thirteenth F site, F(13) is bonded to one Li(13), one Li(5), two equivalent Li(4), and one Co(4) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(17)Li4Co trigonal bipyramid, corners with two equivalent F(13)Li4Co trigonal bipyramids,  a cornercorner with one F(12)Li3Co trigonal pyramid, corners with two equivalent F(9)Li3Co trigonal pyramids, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent F(20)Li4Co trigonal bipyramids, and  an edgeedge with one F(7)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-22°. In the fourteenth F site, F(14) is bonded to one Li(14), one Li(6), two equivalent Li(3), and one Co(2) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(18)Li4Co trigonal bipyramid, corners with two equivalent F(14)Li4Co trigonal bipyramids,  a cornercorner with one F(11)Li3Co trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids, edges with two equivalent F(19)Li4Co trigonal bipyramids, and  an edgeedge with one F(8)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-22°. In the fifteenth F site, F(15) is bonded to one Li(15), one Li(7), two equivalent Li(1), and one Co(1) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(19)Li4Co trigonal bipyramid, corners with two equivalent F(15)Li4Co trigonal bipyramids,  a cornercorner with one F(9)Li3Co trigonal pyramid, corners with two equivalent F(11)Li3Co trigonal pyramids, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent F(17)Li4Co trigonal bipyramids, and  an edgeedge with one F(6)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles are 23°. In the sixteenth F site, F(16) is bonded to one Li(16), one Li(8), two equivalent Li(2), and one Co(3) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(20)Li4Co trigonal bipyramid, corners with two equivalent F(16)Li4Co trigonal bipyramids,  a cornercorner with one F(10)Li3Co trigonal pyramid, corners with two equivalent F(12)Li3Co trigonal pyramids, edges with two equivalent O(1)Li4Co2 octahedra, edges with two equivalent F(18)Li4Co trigonal bipyramids, and  an edgeedge with one F(5)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles are 6°. In the seventeenth F site, F(17) is bonded to one Li(1), one Li(9), two equivalent Li(7), and one Co(4) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(13)Li4Co trigonal bipyramid, corners with two equivalent F(17)Li4Co trigonal bipyramids,  a cornercorner with one F(7)Li3Co trigonal pyramid, corners with two equivalent F(5)Li3Co trigonal pyramids, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent F(15)Li4Co trigonal bipyramids, and  an edgeedge with one F(12)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-22°. In the eighteenth F site, F(18) is bonded to one Li(10), one Li(2), two equivalent Li(8), and one Co(2) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(14)Li4Co trigonal bipyramid, corners with two equivalent F(18)Li4Co trigonal bipyramids,  a cornercorner with one F(8)Li3Co trigonal pyramid, corners with two equivalent F(6)Li3Co trigonal pyramids, edges with two equivalent F(16)Li4Co trigonal bipyramids, and  an edgeedge with one F(11)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-23°. In the nineteenth F site, F(19) is bonded to one Li(11), one Li(3), two equivalent Li(6), and one Co(1) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(15)Li4Co trigonal bipyramid, corners with two equivalent F(19)Li4Co trigonal bipyramids,  a cornercorner with one F(6)Li3Co trigonal pyramid, corners with two equivalent F(7)Li3Co trigonal pyramids, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent F(14)Li4Co trigonal bipyramids, and  an edgeedge with one F(9)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles are 5°. In the twentieth F site, F(20) is bonded to one Li(12), one Li(4), two equivalent Li(5), and one Co(3) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(16)Li4Co trigonal bipyramid, corners with two equivalent F(20)Li4Co trigonal bipyramids,  a cornercorner with one F(5)Li3Co trigonal pyramid, corners with two equivalent F(8)Li3Co trigonal pyramids, edges with two equivalent O(1)Li4Co2 octahedra, edges with two equivalent F(13)Li4Co trigonal bipyramids, and  an edgeedge with one F(10)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles are 21°. is represented by the CIF card [CIF]
data_Li4CoOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.719
_cell_length_b   5.443
_cell_length_c   6.571
_cell_angle_alpha   65.634
_cell_angle_beta   73.565
_cell_angle_gamma   70.066
_symmetry_Int_Tables_number   1
_cell_volume   112.322
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Co  Co0  1  1.000  0.001  0.999  1.0
  F  F1  1  0.500  0.501  0.499  1.0
  F  F2  1  0.851  0.419  0.879  1.0
  F  F3  1  0.148  0.583  0.120  1.0
  F  F4  1  0.816  0.046  0.319  1.0
  F  F5  1  0.183  0.955  0.679  1.0
  Li  Li6  1  0.363  0.891  0.381  1.0
  Li  Li7  1  0.636  0.110  0.617  1.0
  Li  Li8  1  0.334  0.524  0.807  1.0
  Li  Li9  1  0.665  0.477  0.191  1.0
  O  O10  1  0.500  0.001  0.999  1.0
[/CIF]
.
The material structure described by Li4CoOF5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(1), one F(17), and two equivalent F(15) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(4)O2F4 octahedra,  a cornercorner with one Li(5)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(10)OF5 trigonal bipyramid, corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Li(15)OF5 trigonal bipyramids, edges with two equivalent Co(1)O2F4 octahedra,  an edgeedge with one Li(13)OF5 trigonal bipyramid,  an edgeedge with one Li(9)OF5 trigonal bipyramid, and edges with two equivalent Li(7)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the second Li site, Li(2) is bonded to one O(1), one F(18), one F(2), and two equivalent F(16) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Li(5)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(9)OF5 trigonal bipyramid, corners with two equivalent Li(2)OF4 trigonal bipyramids, edges with two equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(10)OF5 trigonal bipyramid,  an edgeedge with one Li(14)OF5 trigonal bipyramid, and edges with two equivalent Li(8)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the third Li site, Li(3) is bonded to one O(4), one F(19), one F(3), and two equivalent F(14) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(1)O2F4 octahedra,  a cornercorner with one Li(7)OF4 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Li(3)OF4 trigonal bipyramids, corners with two equivalent Li(14)OF5 trigonal bipyramids, edges with two equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(15)OF5 trigonal bipyramid, and edges with two equivalent Li(6)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the fourth Li site, Li(4) is bonded to one O(3), one F(20), one F(4), and two equivalent F(13) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(3)O2F4 octahedra,  a cornercorner with one Li(7)OF4 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Li(4)OF4 trigonal bipyramids, corners with two equivalent Li(13)OF5 trigonal bipyramids, edges with two equivalent Co(4)O2F4 octahedra, and edges with two equivalent Li(5)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the fifth Li site, Li(5) is bonded to one O(1), one F(1), one F(13), and two equivalent F(20) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(4)O2F4 octahedra,  a cornercorner with one Li(1)OF4 trigonal bipyramid,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(14)OF5 trigonal bipyramid, corners with two equivalent Li(5)OF4 trigonal bipyramids, edges with two equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(13)OF5 trigonal bipyramid,  an edgeedge with one Li(9)OF5 trigonal bipyramid, and edges with two equivalent Li(4)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the sixth Li site, Li(6) is bonded to one O(2), one F(14), one F(2), and two equivalent F(19) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(2)O2F4 octahedra,  a cornercorner with one Li(1)OF4 trigonal bipyramid,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(13)OF5 trigonal bipyramid, corners with two equivalent Li(6)OF4 trigonal bipyramids, edges with two equivalent Co(1)O2F4 octahedra,  an edgeedge with one Li(10)OF5 trigonal bipyramid,  an edgeedge with one Li(14)OF5 trigonal bipyramid, and edges with two equivalent Li(3)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the seventh Li site, Li(7) is bonded to one O(3), one F(15), one F(3), and two equivalent F(17) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(1)O2F4 octahedra,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(4)OF4 trigonal bipyramid, corners with two equivalent Li(7)OF4 trigonal bipyramids, corners with two equivalent Li(9)OF5 trigonal bipyramids, edges with two equivalent Co(4)O2F4 octahedra,  an edgeedge with one Li(15)OF5 trigonal bipyramid, and edges with two equivalent Li(1)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the eighth Li site, Li(8) is bonded to one O(4), one F(16), one F(4), and two equivalent F(18) atoms to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one Co(3)O2F4 octahedra,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  a cornercorner with one Li(15)OF5 trigonal bipyramid, corners with two equivalent Li(8)OF4 trigonal bipyramids, corners with two equivalent Li(10)OF5 trigonal bipyramids, edges with two equivalent Co(2)O2F4 octahedra, and edges with two equivalent Li(2)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the ninth Li site, Li(9) is bonded to one O(1), one F(1), one F(12), one F(17), and two equivalent F(5) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(13)OF5 trigonal bipyramid,  a cornercorner with one Li(14)OF5 trigonal bipyramid, corners with two equivalent Li(7)OF4 trigonal bipyramids, corners with two equivalent Li(9)OF5 trigonal bipyramids,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(1)OF4 trigonal bipyramid, and  an edgeedge with one Li(5)OF4 trigonal bipyramid. In the tenth Li site, Li(10) is bonded to one O(2), one F(11), one F(18), one F(2), and two equivalent F(6) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(1)OF4 trigonal bipyramid,  a cornercorner with one Li(13)OF5 trigonal bipyramid,  a cornercorner with one Li(14)OF5 trigonal bipyramid, corners with two equivalent Li(8)OF4 trigonal bipyramids, corners with two equivalent Li(10)OF5 trigonal bipyramids,  an edgeedge with one Co(2)O2F4 octahedra, edges with two equivalent Co(1)O2F4 octahedra,  an edgeedge with one Li(2)OF4 trigonal bipyramid,  an edgeedge with one Li(6)OF4 trigonal bipyramid, and edges with two equivalent Li(15)OF5 trigonal bipyramids. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(3), one F(19), one F(3), one F(9), and two equivalent F(7) atoms. In the twelfth Li site, Li(12) is bonded in a 6-coordinate geometry to one O(4), one F(10), one F(20), one F(4), and two equivalent F(8) atoms. In the thirteenth Li site, Li(13) is bonded to one O(2), one F(1), one F(13), one F(7), and two equivalent F(9) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(10)OF5 trigonal bipyramid,  a cornercorner with one Li(9)OF5 trigonal bipyramid, corners with two equivalent Li(4)OF4 trigonal bipyramids, corners with two equivalent Li(13)OF5 trigonal bipyramids,  an edgeedge with one Co(4)O2F4 octahedra, edges with two equivalent Co(1)O2F4 octahedra,  an edgeedge with one Li(1)OF4 trigonal bipyramid, and  an edgeedge with one Li(5)OF4 trigonal bipyramid. In the fourteenth Li site, Li(14) is bonded to one O(1), one F(14), one F(2), one F(8), and two equivalent F(10) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(5)OF4 trigonal bipyramid,  a cornercorner with one Li(10)OF5 trigonal bipyramid,  a cornercorner with one Li(9)OF5 trigonal bipyramid, corners with two equivalent Li(3)OF4 trigonal bipyramids, corners with two equivalent Li(14)OF5 trigonal bipyramids,  an edgeedge with one Co(2)O2F4 octahedra, edges with two equivalent Co(3)O2F4 octahedra,  an edgeedge with one Li(2)OF4 trigonal bipyramid, and  an edgeedge with one Li(6)OF4 trigonal bipyramid. In the fifteenth Li site, Li(15) is bonded to one O(4), one F(15), one F(3), one F(6), and two equivalent F(11) atoms to form distorted LiOF5 trigonal bipyramids that share  a cornercorner with one Li(8)OF4 trigonal bipyramid, corners with two equivalent Li(1)OF4 trigonal bipyramids, corners with two equivalent Li(15)OF5 trigonal bipyramids,  an edgeedge with one Co(1)O2F4 octahedra, edges with two equivalent Co(2)O2F4 octahedra,  an edgeedge with one Li(3)OF4 trigonal bipyramid,  an edgeedge with one Li(7)OF4 trigonal bipyramid, and edges with two equivalent Li(10)OF5 trigonal bipyramids. In the sixteenth Li site, Li(16) is bonded in a 6-coordinate geometry to one O(3), one F(16), one F(4), one F(5), and two equivalent F(12) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), one F(15), one F(19), one F(6), and one F(9) atom to form CoO2F4 octahedra that share corners with two equivalent Co(1)O2F4 octahedra,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(7)OF4 trigonal bipyramid,  an edgeedge with one Li(15)OF5 trigonal bipyramid, edges with two equivalent Li(1)OF4 trigonal bipyramids, edges with two equivalent Li(6)OF4 trigonal bipyramids, edges with two equivalent Li(10)OF5 trigonal bipyramids, and edges with two equivalent Li(13)OF5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(4), one F(11), one F(14), one F(18), and one F(8) atom to form CoO2F4 octahedra that share corners with two equivalent Co(2)O2F4 octahedra,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  an edgeedge with one Li(10)OF5 trigonal bipyramid,  an edgeedge with one Li(14)OF5 trigonal bipyramid, edges with two equivalent Li(3)OF4 trigonal bipyramids, edges with two equivalent Li(8)OF4 trigonal bipyramids, and edges with two equivalent Li(15)OF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. In the third Co site, Co(3) is bonded to two equivalent O(1), one F(10), one F(16), one F(20), and one F(5) atom to form CoO2F4 octahedra that share corners with two equivalent Co(3)O2F4 octahedra,  a cornercorner with one Li(4)OF4 trigonal bipyramid,  a cornercorner with one Li(8)OF4 trigonal bipyramid, edges with two equivalent Li(2)OF4 trigonal bipyramids, edges with two equivalent Li(5)OF4 trigonal bipyramids, edges with two equivalent Li(14)OF5 trigonal bipyramids, and edges with two equivalent Li(9)OF5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the fourth Co site, Co(4) is bonded to two equivalent O(3), one F(12), one F(13), one F(17), and one F(7) atom to form CoO2F4 octahedra that share corners with two equivalent Co(4)O2F4 octahedra,  a cornercorner with one Li(1)OF4 trigonal bipyramid,  a cornercorner with one Li(5)OF4 trigonal bipyramid,  an edgeedge with one Li(13)OF5 trigonal bipyramid,  an edgeedge with one Li(9)OF5 trigonal bipyramid, edges with two equivalent Li(4)OF4 trigonal bipyramids, and edges with two equivalent Li(7)OF4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(14), one Li(2), one Li(5), one Li(9), and two equivalent Co(3) atoms to form distorted OLi4Co2 octahedra that share corners with two equivalent O(1)Li4Co2 octahedra,  a cornercorner with one F(13)Li4Co trigonal bipyramid,  a cornercorner with one F(14)Li4Co trigonal bipyramid,  a cornercorner with one F(17)Li4Co trigonal bipyramid,  a cornercorner with one F(18)Li4Co trigonal bipyramid,  a cornercorner with one F(12)Li3Co trigonal pyramid,  a cornercorner with one F(8)Li3Co trigonal pyramid, edges with two equivalent F(16)Li4Co trigonal bipyramids, edges with two equivalent F(20)Li4Co trigonal bipyramids, edges with two equivalent F(10)Li3Co trigonal pyramids, and edges with two equivalent F(5)Li3Co trigonal pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(10), one Li(13), one Li(6), and two equivalent Co(1) atoms to form distorted OLi4Co2 octahedra that share corners with two equivalent O(2)Li4Co2 octahedra,  a cornercorner with one F(13)Li4Co trigonal bipyramid,  a cornercorner with one F(14)Li4Co trigonal bipyramid,  a cornercorner with one F(17)Li4Co trigonal bipyramid,  a cornercorner with one F(18)Li4Co trigonal bipyramid,  a cornercorner with one F(11)Li3Co trigonal pyramid,  a cornercorner with one F(7)Li3Co trigonal pyramid, edges with two equivalent F(15)Li4Co trigonal bipyramids, edges with two equivalent F(19)Li4Co trigonal bipyramids, edges with two equivalent F(6)Li3Co trigonal pyramids, and edges with two equivalent F(9)Li3Co trigonal pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(11), one Li(16), one Li(4), one Li(7), and two equivalent Co(4) atoms to form distorted OLi4Co2 octahedra that share corners with two equivalent O(3)Li4Co2 octahedra,  a cornercorner with one F(15)Li4Co trigonal bipyramid,  a cornercorner with one F(16)Li4Co trigonal bipyramid,  a cornercorner with one F(19)Li4Co trigonal bipyramid,  a cornercorner with one F(20)Li4Co trigonal bipyramid,  a cornercorner with one F(5)Li3Co trigonal pyramid,  a cornercorner with one F(9)Li3Co trigonal pyramid, edges with two equivalent F(13)Li4Co trigonal bipyramids, edges with two equivalent F(17)Li4Co trigonal bipyramids, edges with two equivalent F(12)Li3Co trigonal pyramids, and edges with two equivalent F(7)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(12), one Li(15), one Li(3), one Li(8), and two equivalent Co(2) atoms. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to one Li(1), one Li(13), one Li(5), and one Li(9) atom. In the second F site, F(2) is bonded in a square co-planar geometry to one Li(10), one Li(14), one Li(2), and one Li(6) atom. In the third F site, F(3) is bonded in a square co-planar geometry to one Li(11), one Li(15), one Li(3), and one Li(7) atom. In the fourth F site, F(4) is bonded in a square co-planar geometry to one Li(12), one Li(16), one Li(4), and one Li(8) atom. In the fifth F site, F(5) is bonded to one Li(16), two equivalent Li(9), and one Co(3) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(20)Li4Co trigonal bipyramid, corners with two equivalent F(17)Li4Co trigonal bipyramids,  a cornercorner with one F(10)Li3Co trigonal pyramid, corners with two equivalent F(5)Li3Co trigonal pyramids, edges with two equivalent O(1)Li4Co2 octahedra,  an edgeedge with one F(16)Li4Co trigonal bipyramid, and edges with two equivalent F(12)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 87°. In the sixth F site, F(6) is bonded to one Li(15), two equivalent Li(10), and one Co(1) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one F(19)Li4Co trigonal bipyramid, corners with two equivalent F(18)Li4Co trigonal bipyramids,  a cornercorner with one F(9)Li3Co trigonal pyramid, corners with two equivalent F(6)Li3Co trigonal pyramids, edges with two equivalent O(2)Li4Co2 octahedra,  an edgeedge with one F(15)Li4Co trigonal bipyramid, and edges with two equivalent F(11)Li3Co trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(13), two equivalent Li(11), and one Co(4) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(17)Li4Co trigonal bipyramid, corners with two equivalent F(19)Li4Co trigonal bipyramids,  a cornercorner with one F(12)Li3Co trigonal pyramid, corners with two equivalent F(7)Li3Co trigonal pyramids, edges with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one F(13)Li4Co trigonal bipyramid, and edges with two equivalent F(9)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 89°. In the eighth F site, F(8) is bonded to one Li(14), two equivalent Li(12), and one Co(2) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one F(18)Li4Co trigonal bipyramid, corners with two equivalent F(20)Li4Co trigonal bipyramids,  a cornercorner with one F(11)Li3Co trigonal pyramid, corners with two equivalent F(8)Li3Co trigonal pyramids,  an edgeedge with one F(14)Li4Co trigonal bipyramid, and edges with two equivalent F(10)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 89°. In the ninth F site, F(9) is bonded to one Li(11), two equivalent Li(13), and one Co(1) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(15)Li4Co trigonal bipyramid, corners with two equivalent F(13)Li4Co trigonal bipyramids,  a cornercorner with one F(6)Li3Co trigonal pyramid, corners with two equivalent F(9)Li3Co trigonal pyramids, edges with two equivalent O(2)Li4Co2 octahedra,  an edgeedge with one F(19)Li4Co trigonal bipyramid, and edges with two equivalent F(7)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 89°. In the tenth F site, F(10) is bonded to one Li(12), two equivalent Li(14), and one Co(3) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one F(16)Li4Co trigonal bipyramid, corners with two equivalent F(14)Li4Co trigonal bipyramids,  a cornercorner with one F(5)Li3Co trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids, edges with two equivalent O(1)Li4Co2 octahedra,  an edgeedge with one F(20)Li4Co trigonal bipyramid, and edges with two equivalent F(8)Li3Co trigonal pyramids. In the eleventh F site, F(11) is bonded to one Li(10), two equivalent Li(15), and one Co(2) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(14)Li4Co trigonal bipyramid, corners with two equivalent F(15)Li4Co trigonal bipyramids,  a cornercorner with one F(8)Li3Co trigonal pyramid, corners with two equivalent F(11)Li3Co trigonal pyramids,  an edgeedge with one F(18)Li4Co trigonal bipyramid, and edges with two equivalent F(6)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 88°. In the twelfth F site, F(12) is bonded to one Li(9), two equivalent Li(16), and one Co(4) atom to form FLi3Co trigonal pyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one F(13)Li4Co trigonal bipyramid, corners with two equivalent F(16)Li4Co trigonal bipyramids,  a cornercorner with one F(7)Li3Co trigonal pyramid, corners with two equivalent F(12)Li3Co trigonal pyramids, edges with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one F(17)Li4Co trigonal bipyramid, and edges with two equivalent F(5)Li3Co trigonal pyramids. The corner-sharing octahedral tilt angles are 89°. In the thirteenth F site, F(13) is bonded to one Li(13), one Li(5), two equivalent Li(4), and one Co(4) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(17)Li4Co trigonal bipyramid, corners with two equivalent F(13)Li4Co trigonal bipyramids,  a cornercorner with one F(12)Li3Co trigonal pyramid, corners with two equivalent F(9)Li3Co trigonal pyramids, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent F(20)Li4Co trigonal bipyramids, and  an edgeedge with one F(7)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-22°. In the fourteenth F site, F(14) is bonded to one Li(14), one Li(6), two equivalent Li(3), and one Co(2) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(18)Li4Co trigonal bipyramid, corners with two equivalent F(14)Li4Co trigonal bipyramids,  a cornercorner with one F(11)Li3Co trigonal pyramid, corners with two equivalent F(10)Li3Co trigonal pyramids, edges with two equivalent F(19)Li4Co trigonal bipyramids, and  an edgeedge with one F(8)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-22°. In the fifteenth F site, F(15) is bonded to one Li(15), one Li(7), two equivalent Li(1), and one Co(1) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(19)Li4Co trigonal bipyramid, corners with two equivalent F(15)Li4Co trigonal bipyramids,  a cornercorner with one F(9)Li3Co trigonal pyramid, corners with two equivalent F(11)Li3Co trigonal pyramids, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent F(17)Li4Co trigonal bipyramids, and  an edgeedge with one F(6)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles are 23°. In the sixteenth F site, F(16) is bonded to one Li(16), one Li(8), two equivalent Li(2), and one Co(3) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(20)Li4Co trigonal bipyramid, corners with two equivalent F(16)Li4Co trigonal bipyramids,  a cornercorner with one F(10)Li3Co trigonal pyramid, corners with two equivalent F(12)Li3Co trigonal pyramids, edges with two equivalent O(1)Li4Co2 octahedra, edges with two equivalent F(18)Li4Co trigonal bipyramids, and  an edgeedge with one F(5)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles are 6°. In the seventeenth F site, F(17) is bonded to one Li(1), one Li(9), two equivalent Li(7), and one Co(4) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(13)Li4Co trigonal bipyramid, corners with two equivalent F(17)Li4Co trigonal bipyramids,  a cornercorner with one F(7)Li3Co trigonal pyramid, corners with two equivalent F(5)Li3Co trigonal pyramids, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent F(15)Li4Co trigonal bipyramids, and  an edgeedge with one F(12)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-22°. In the eighteenth F site, F(18) is bonded to one Li(10), one Li(2), two equivalent Li(8), and one Co(2) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(1)Li4Co2 octahedra,  a cornercorner with one O(2)Li4Co2 octahedra,  a cornercorner with one F(14)Li4Co trigonal bipyramid, corners with two equivalent F(18)Li4Co trigonal bipyramids,  a cornercorner with one F(8)Li3Co trigonal pyramid, corners with two equivalent F(6)Li3Co trigonal pyramids, edges with two equivalent F(16)Li4Co trigonal bipyramids, and  an edgeedge with one F(11)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-23°. In the nineteenth F site, F(19) is bonded to one Li(11), one Li(3), two equivalent Li(6), and one Co(1) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(15)Li4Co trigonal bipyramid, corners with two equivalent F(19)Li4Co trigonal bipyramids,  a cornercorner with one F(6)Li3Co trigonal pyramid, corners with two equivalent F(7)Li3Co trigonal pyramids, edges with two equivalent O(2)Li4Co2 octahedra, edges with two equivalent F(14)Li4Co trigonal bipyramids, and  an edgeedge with one F(9)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles are 5°. In the twentieth F site, F(20) is bonded to one Li(12), one Li(4), two equivalent Li(5), and one Co(3) atom to form FLi4Co trigonal bipyramids that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one F(16)Li4Co trigonal bipyramid, corners with two equivalent F(20)Li4Co trigonal bipyramids,  a cornercorner with one F(5)Li3Co trigonal pyramid, corners with two equivalent F(8)Li3Co trigonal pyramids, edges with two equivalent O(1)Li4Co2 octahedra, edges with two equivalent F(13)Li4Co trigonal bipyramids, and  an edgeedge with one F(10)Li3Co trigonal pyramid. The corner-sharing octahedral tilt angles are 21°. is represented by the CIF card [CIF]
data_Li4CoOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.719
_cell_length_b   5.443
_cell_length_c   6.571
_cell_angle_alpha   65.634
_cell_angle_beta   73.565
_cell_angle_gamma   70.066
_symmetry_Int_Tables_number   1
_cell_volume   112.322
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Co  Co0  1  1.000  0.001  0.999  1.0
  F  F1  1  0.500  0.501  0.499  1.0
  F  F2  1  0.851  0.419  0.879  1.0
  F  F3  1  0.148  0.583  0.120  1.0
  F  F4  1  0.816  0.046  0.319  1.0
  F  F5  1  0.183  0.955  0.679  1.0
  Li  Li6  1  0.363  0.891  0.381  1.0
  Li  Li7  1  0.636  0.110  0.617  1.0
  Li  Li8  1  0.334  0.524  0.807  1.0
  Li  Li9  1  0.665  0.477  0.191  1.0
  O  O10  1  0.500  0.001  0.999  1.0
[/CIF]
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