Li5Cr2P2(CO7)2 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(14), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(14), and one O(2) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Cr site, Cr(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and  a cornercorner with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-52°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and  a cornercorner with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-49°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Cr(1), and one C(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), and one C(1) atom to form distorted corner-sharing OLi2CrC trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(2), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Cr(2), and one P(1) atom. In the tenth O site, O(10) is bonded to one Li(3), one Li(5), one Cr(2), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(14)Li3C tetrahedra,  a cornercorner with one O(11)Li2CrP trigonal pyramid, and  an edgeedge with one O(11)Li2CrP trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Cr(2), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(14)Li3C tetrahedra,  a cornercorner with one O(10)Li2CrP trigonal pyramid, and  an edgeedge with one O(10)Li2CrP trigonal pyramid. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(4), one Cr(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one Li(5), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(3)Li2CrC trigonal pyramid, corners with two equivalent O(10)Li2CrP trigonal pyramids, and corners with two equivalent O(11)Li2CrP trigonal pyramids.
Li5Cr2P2(CO7)2 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. The Li(1)-O(1) bond length is 2.08 Å. The Li(1)-O(2) bond length is 2.41 Å. The Li(1)-O(3) bond length is 2.19 Å. The Li(1)-O(5) bond length is 2.04 Å. The Li(1)-O(6) bond length is 2.44 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and one O(7) atom. The Li(2)-O(1) bond length is 2.07 Å. The Li(2)-O(3) bond length is 2.24 Å. The Li(2)-O(4) bond length is 2.22 Å. The Li(2)-O(6) bond length is 2.18 Å. The Li(2)-O(7) bond length is 2.35 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(8), and one O(9) atom. The Li(3)-O(10) bond length is 2.11 Å. The Li(3)-O(14) bond length is 2.06 Å. The Li(3)-O(8) bond length is 1.97 Å. The Li(3)-O(9) bond length is 2.11 Å. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(14), and one O(9) atom. The Li(4)-O(11) bond length is 2.18 Å. The Li(4)-O(12) bond length is 2.03 Å. The Li(4)-O(13) bond length is 2.18 Å. The Li(4)-O(14) bond length is 2.08 Å. The Li(4)-O(9) bond length is 2.39 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(14), and one O(2) atom. The Li(5)-O(10) bond length is 2.08 Å. The Li(5)-O(11) bond length is 2.30 Å. The Li(5)-O(14) bond length is 2.00 Å. The Li(5)-O(2) bond length is 1.92 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The Cr(1)-O(2) bond length is 2.56 Å. The Cr(1)-O(3) bond length is 2.17 Å. The Cr(1)-O(4) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 2.02 Å. The Cr(1)-O(6) bond length is 2.14 Å. The Cr(1)-O(8) bond length is 2.23 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Cr(2)-O(10) bond length is 2.03 Å. The Cr(2)-O(11) bond length is 2.02 Å. The Cr(2)-O(12) bond length is 2.05 Å. The Cr(2)-O(13) bond length is 2.05 Å. The Cr(2)-O(7) bond length is 2.02 Å. The Cr(2)-O(9) bond length is 2.01 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(3) atom. The C(1)-O(14) bond length is 1.30 Å. The C(1)-O(2) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(13) atom. The C(2)-O(1) bond length is 1.26 Å. The C(2)-O(12) bond length is 1.33 Å. The C(2)-O(13) bond length is 1.32 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and  a cornercorner with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-52°. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.53 Å. The P(1)-O(7) bond length is 1.57 Å. The P(1)-O(9) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(10), one O(11), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and  a cornercorner with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-49°. The P(2)-O(10) bond length is 1.58 Å. The P(2)-O(11) bond length is 1.57 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.53 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Cr(1), and one C(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), and one C(1) atom to form distorted corner-sharing OLi2CrC trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(2), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(3), one Cr(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Cr(2), and one P(1) atom. In the tenth O site, O(10) is bonded to one Li(3), one Li(5), one Cr(2), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(14)Li3C tetrahedra,  a cornercorner with one O(11)Li2CrP trigonal pyramid, and  an edgeedge with one O(11)Li2CrP trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Cr(2), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share corners with two equivalent O(14)Li3C tetrahedra,  a cornercorner with one O(10)Li2CrP trigonal pyramid, and  an edgeedge with one O(10)Li2CrP trigonal pyramid. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Cr(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Li(4), one Cr(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one Li(5), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(3)Li2CrC trigonal pyramid, corners with two equivalent O(10)Li2CrP trigonal pyramids, and corners with two equivalent O(11)Li2CrP trigonal pyramids.