Li5Fe2P2(CO7)2 crystallizes in the monoclinic Pc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(14), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(13), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-81°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(13), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 68-84°. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(11), and one O(13) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(4)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(13), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(2) 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 Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-58°. 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 Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and corners with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(5), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Fe(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(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 Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(2), and one C(2) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(4), one Li(5), and one C(1) atom to form corner-sharing OLi3C tetrahedra. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(2) atom.
Li5Fe2P2(CO7)2 crystallizes in the monoclinic Pc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(14), one O(2), one O(4), and one O(5) atom. The Li(1)-O(14) bond length is 1.96 Å. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(4) bond length is 2.17 Å. The Li(1)-O(5) bond length is 2.13 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(7) atom. The Li(2)-O(2) bond length is 1.94 Å. The Li(2)-O(5) bond length is 2.13 Å. The Li(2)-O(6) bond length is 2.15 Å. The Li(2)-O(7) bond length is 1.98 Å. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(13), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-81°. The Li(3)-O(11) bond length is 2.30 Å. The Li(3)-O(12) bond length is 2.08 Å. The Li(3)-O(13) bond length is 2.12 Å. The Li(3)-O(8) bond length is 2.53 Å. The Li(3)-O(9) bond length is 2.11 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(13), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 68-84°. The Li(4)-O(10) bond length is 2.20 Å. The Li(4)-O(12) bond length is 2.22 Å. The Li(4)-O(13) bond length is 2.11 Å. The Li(4)-O(8) bond length is 2.48 Å. The Li(4)-O(9) bond length is 2.14 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(11), and one O(13) atom. The Li(5)-O(1) bond length is 1.94 Å. The Li(5)-O(10) bond length is 2.26 Å. The Li(5)-O(11) bond length is 2.11 Å. The Li(5)-O(13) bond length is 2.04 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(4)O5 trigonal bipyramid. The Fe(1)-O(1) bond length is 2.24 Å. The Fe(1)-O(3) bond length is 2.08 Å. The Fe(1)-O(4) bond length is 1.98 Å. The Fe(1)-O(5) bond length is 2.06 Å. The Fe(1)-O(6) bond length is 2.01 Å. The Fe(1)-O(8) bond length is 2.05 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(14), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The Fe(2)-O(10) bond length is 2.04 Å. The Fe(2)-O(11) bond length is 2.07 Å. The Fe(2)-O(12) bond length is 2.15 Å. The Fe(2)-O(14) bond length is 2.27 Å. The Fe(2)-O(7) bond length is 2.08 Å. The Fe(2)-O(9) bond length is 2.13 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(13), and one O(3) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(13) bond length is 1.30 Å. The C(1)-O(3) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(14), and one O(2) atom. The C(2)-O(12) bond length is 1.33 Å. The C(2)-O(14) bond length is 1.30 Å. The C(2)-O(2) bond length is 1.27 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 Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  a cornercorner with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-58°. The P(1)-O(4) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.57 Å. The P(1)-O(7) bond length is 1.54 Å. The P(1)-O(9) bond length is 1.54 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 Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and corners with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-51°. The P(2)-O(10) bond length is 1.55 Å. The P(2)-O(11) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.57 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(5), one Fe(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one C(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Fe(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Fe(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 Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(2), and one C(2) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(4), one Li(5), and one C(1) atom to form corner-sharing OLi3C tetrahedra. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(1), one Fe(2), and one C(2) atom.