Li5Fe2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(2), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 61-78°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(14), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 63-80°. In the fourth Li site, Li(4) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 79°. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and one O(5) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. In the second Fe site, Fe(2) is bonded to one O(10), one O(13), one O(14), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. 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(11), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(13), one O(2), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(3), and one O(4) 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)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-58°. In the second P site, P(2) is bonded to one O(14), one O(6), 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)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-53°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), and one C(1) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one C(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(5), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), 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(2) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Fe(2) and one C(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Li(5), one Fe(2), and one P(1) atom to form distorted corner-sharing OLi2FeP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(5), and one C(1) atom to form distorted OLi3C trigonal pyramids that share  a cornercorner with one O(10)Li2FeP trigonal pyramid and corners with two equivalent O(1)Li2FeC trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Fe(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one P(2) atom.
Li5Fe2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(4), and one O(9) atom. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(11) bond length is 1.97 Å. The Li(1)-O(4) bond length is 2.08 Å. The Li(1)-O(9) bond length is 1.98 Å. In the second Li site, Li(2) is bonded to one O(1), one O(12), one O(2), and one O(7) atom to form LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 61-78°. The Li(2)-O(1) bond length is 2.13 Å. The Li(2)-O(12) bond length is 2.11 Å. The Li(2)-O(2) bond length is 2.11 Å. The Li(2)-O(7) bond length is 2.11 Å. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(14), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 63-80°. The Li(3)-O(11) bond length is 1.98 Å. The Li(3)-O(13) bond length is 2.02 Å. The Li(3)-O(14) bond length is 2.04 Å. The Li(3)-O(3) bond length is 1.99 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 79°. The Li(4)-O(10) bond length is 2.13 Å. The Li(4)-O(13) bond length is 2.12 Å. The Li(4)-O(2) bond length is 2.03 Å. The Li(4)-O(6) bond length is 1.90 Å. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and one O(5) atom. The Li(5)-O(10) bond length is 2.05 Å. The Li(5)-O(11) bond length is 2.30 Å. The Li(5)-O(2) bond length is 2.30 Å. The Li(5)-O(3) bond length is 2.32 Å. The Li(5)-O(5) bond length is 1.97 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. The Fe(1)-O(1) bond length is 2.25 Å. The Fe(1)-O(12) bond length is 2.11 Å. The Fe(1)-O(3) bond length is 2.16 Å. The Fe(1)-O(5) bond length is 2.18 Å. The Fe(1)-O(6) bond length is 2.06 Å. The Fe(1)-O(9) bond length is 2.11 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(13), one O(14), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Li(4)O4 trigonal pyramid. The Fe(2)-O(10) bond length is 2.03 Å. The Fe(2)-O(13) bond length is 2.13 Å. The Fe(2)-O(14) bond length is 2.00 Å. The Fe(2)-O(4) bond length is 2.03 Å. The Fe(2)-O(7) bond length is 2.00 Å. The Fe(2)-O(8) bond length is 2.15 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(11), and one O(5) atom. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(11) bond length is 1.29 Å. The C(1)-O(5) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(13), one O(2), and one O(8) atom. The C(2)-O(13) bond length is 1.32 Å. The C(2)-O(2) bond length is 1.28 Å. The C(2)-O(8) bond length is 1.29 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(3), and one O(4) 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)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-58°. The P(1)-O(10) bond length is 1.57 Å. The P(1)-O(12) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(14), one O(6), 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)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-53°. The P(2)-O(14) bond length is 1.59 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(7) bond length is 1.57 Å. The P(2)-O(9) bond length is 1.53 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), and one C(1) atom to form distorted corner-sharing OLi2FeC trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one C(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(5), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), 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(2) atom. In the eighth O site, O(8) is bonded in an L-shaped geometry to one Fe(2) and one C(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Li(5), one Fe(2), and one P(1) atom to form distorted corner-sharing OLi2FeP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(5), and one C(1) atom to form distorted OLi3C trigonal pyramids that share  a cornercorner with one O(10)Li2FeP trigonal pyramid and corners with two equivalent O(1)Li2FeC trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Fe(2), and one C(2) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one P(2) atom.