Li12Cr3FeP4(CO7)4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(24), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(22), one O(5), and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(4), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-89°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(18), one O(19), and one O(20) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. In the sixth Li site, Li(6) is bonded to one O(15), one O(16), one O(17), one O(21), and one O(23) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Cr(3)O6 octahedra, and edges with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(20), one O(3), and two equivalent O(17) atoms. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(23), and two equivalent O(18) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(13), one O(4), and two equivalent O(7) atoms to form distorted CrO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one O(15), one O(3), one O(6), one O(9), and two equivalent O(8) atoms to form distorted CrO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded to one O(10), one O(16), one O(19), one O(22), and two equivalent O(17) atoms to form distorted CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(6)O5 trigonal bipyramids. Fe(1) is bonded to one O(12), one O(14), one O(21), one O(24), and two equivalent O(18) atoms to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(20), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(23), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(19), one O(2), and one O(22) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(21), one O(24), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-67°. In the second P site, P(2) is bonded to one O(12), one O(16), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-63°. In the third P site, P(3) is bonded to one O(13), one O(9), and two equivalent O(17) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-66°. In the fourth P site, P(4) is bonded to one O(11), one O(15), and two equivalent O(18) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-66°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(8), one Cr(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and one C(3) atom to form a mixture of edge and corner-sharing OLi3C tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(7), one Cr(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Cr(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(4), and one C(4) atom to form OLi3C tetrahedra that share corners with two equivalent O(11)Li2CrP trigonal pyramids, corners with two equivalent O(7)Li2CrP trigonal pyramids, corners with two equivalent O(8)Li2CrP trigonal pyramids, and  an edgeedge with one O(12)Li2FeP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Cr(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Cr(1), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(10)Li2CrP tetrahedra,  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  an edgeedge with one O(11)Li2CrP trigonal pyramid, and  an edgeedge with one O(7)Li2CrP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Cr(2), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(10)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid,  an edgeedge with one O(8)Li2CrP trigonal pyramid, and  an edgeedge with one O(9)Li2CrP trigonal pyramid. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Cr(2), and one P(3) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra, corners with two equivalent O(10)Li2CrP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with two equivalent O(17)Li2CrP trigonal pyramids, and edges with two equivalent O(8)Li2CrP trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Cr(3), and one P(1) atom to form OLi2CrP tetrahedra that share  a cornercorner with one O(16)Li2CrP trigonal pyramid, corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(7)Li2CrP trigonal pyramids, corners with two equivalent O(8)Li2CrP trigonal pyramids, corners with two equivalent O(9)Li2CrP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Li(4), one Cr(1), and one P(4) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra, corners with two equivalent O(12)Li2FeP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra, corners with two equivalent O(18)Li2FeP trigonal pyramids, and edges with two equivalent O(7)Li2CrP trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one Fe(1), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(16)Li2CrP trigonal pyramid, corners with two equivalent O(11)Li2CrP trigonal pyramids, corners with two equivalent O(7)Li2CrP trigonal pyramids, corners with two equivalent O(8)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the thirteenth O site, O(13) is bonded to two equivalent Li(5), one Cr(1), and one P(3) atom to form OLi2CrP tetrahedra that share  a cornercorner with one O(11)Li2CrP trigonal pyramid,  a cornercorner with one O(9)Li2CrP trigonal pyramid, corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(7)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(20)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Fe(1), and one P(1) atom. In the fifteenth O site, O(15) is bonded to two equivalent Li(6), one Cr(2), and one P(4) atom to form OLi2CrP tetrahedra that share  a cornercorner with one O(11)Li2CrP trigonal pyramid,  a cornercorner with one O(9)Li2CrP trigonal pyramid, corners with two equivalent O(16)Li2CrP trigonal pyramids, corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(8)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(23)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to two equivalent Li(6), one Cr(3), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(10)Li2CrP tetrahedra,  a cornercorner with one O(12)Li2FeP tetrahedra, corners with two equivalent O(15)Li2CrP tetrahedra, corners with two equivalent O(23)Li3C tetrahedra, corners with two equivalent O(8)Li2CrP trigonal pyramids, and edges with two equivalent O(17)Li2CrP trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Li(6), one Li(7), one Cr(3), and one P(3) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(10)Li2CrP tetrahedra,  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(17)Li2CrP trigonal pyramid,  a cornercorner with one O(9)Li2CrP trigonal pyramid,  an edgeedge with one O(16)Li2CrP trigonal pyramid, and  an edgeedge with one O(17)Li2CrP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(5), one Li(8), one Fe(1), and one P(4) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(11)Li2CrP trigonal pyramid,  a cornercorner with one O(18)Li2FeP trigonal pyramid, and  an edgeedge with one O(18)Li2FeP trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Cr(3), and one C(3) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Li(5), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(13)Li2CrP tetrahedra. In the twenty-first O site, O(21) is bonded in a 1-coordinate geometry to two equivalent Li(6), one Fe(1), and one C(4) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Cr(3), and one C(3) atom. In the twenty-third O site, O(23) is bonded to one Li(8), two equivalent Li(6), and one C(2) atom to form OLi3C tetrahedra that share corners with two equivalent O(16)Li2CrP trigonal pyramids, corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(15)Li2CrP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Fe(1), and one C(4) atom.
Li12Cr3FeP4(CO7)4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(24), and two equivalent O(7) atoms. The Li(1)-O(2) bond length is 1.99 Å. The Li(1)-O(24) bond length is 1.95 Å. Both Li(1)-O(7) bond lengths are 2.28 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(22), one O(5), and two equivalent O(8) atoms. The Li(2)-O(22) bond length is 1.90 Å. The Li(2)-O(5) bond length is 2.00 Å. Both Li(2)-O(8) bond lengths are 2.27 Å. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(4), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. The Li(3)-O(10) bond length is 2.12 Å. The Li(3)-O(2) bond length is 2.08 Å. The Li(3)-O(4) bond length is 2.44 Å. The Li(3)-O(8) bond length is 2.15 Å. The Li(3)-O(9) bond length is 2.20 Å. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-89°. The Li(4)-O(11) bond length is 2.20 Å. The Li(4)-O(12) bond length is 2.17 Å. The Li(4)-O(5) bond length is 2.08 Å. The Li(4)-O(6) bond length is 2.45 Å. The Li(4)-O(7) bond length is 2.12 Å. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(18), one O(19), and one O(20) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. The Li(5)-O(13) bond length is 2.13 Å. The Li(5)-O(14) bond length is 2.19 Å. The Li(5)-O(18) bond length is 2.12 Å. The Li(5)-O(19) bond length is 2.44 Å. The Li(5)-O(20) bond length is 2.09 Å. In the sixth Li site, Li(6) is bonded to one O(15), one O(16), one O(17), one O(21), and one O(23) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Cr(3)O6 octahedra, and edges with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-89°. The Li(6)-O(15) bond length is 2.13 Å. The Li(6)-O(16) bond length is 2.20 Å. The Li(6)-O(17) bond length is 2.13 Å. The Li(6)-O(21) bond length is 2.41 Å. The Li(6)-O(23) bond length is 2.08 Å. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(20), one O(3), and two equivalent O(17) atoms. The Li(7)-O(20) bond length is 1.98 Å. The Li(7)-O(3) bond length is 1.90 Å. Both Li(7)-O(17) bond lengths are 2.26 Å. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(23), and two equivalent O(18) atoms. The Li(8)-O(1) bond length is 1.90 Å. The Li(8)-O(23) bond length is 1.98 Å. Both Li(8)-O(18) bond lengths are 2.27 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(13), one O(4), and two equivalent O(7) atoms to form distorted CrO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. The Cr(1)-O(1) bond length is 2.45 Å. The Cr(1)-O(11) bond length is 2.20 Å. The Cr(1)-O(13) bond length is 2.25 Å. The Cr(1)-O(4) bond length is 2.18 Å. Both Cr(1)-O(7) bond lengths are 2.05 Å. In the second Cr site, Cr(2) is bonded to one O(15), one O(3), one O(6), one O(9), and two equivalent O(8) atoms to form distorted CrO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. The Cr(2)-O(15) bond length is 2.26 Å. The Cr(2)-O(3) bond length is 2.46 Å. The Cr(2)-O(6) bond length is 2.18 Å. The Cr(2)-O(9) bond length is 2.20 Å. Both Cr(2)-O(8) bond lengths are 2.05 Å. In the third Cr site, Cr(3) is bonded to one O(10), one O(16), one O(19), one O(22), and two equivalent O(17) atoms to form distorted CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(6)O5 trigonal bipyramids. The Cr(3)-O(10) bond length is 2.27 Å. The Cr(3)-O(16) bond length is 2.18 Å. The Cr(3)-O(19) bond length is 2.17 Å. The Cr(3)-O(22) bond length is 2.46 Å. Both Cr(3)-O(17) bond lengths are 2.05 Å. Fe(1) is bonded to one O(12), one O(14), one O(21), one O(24), and two equivalent O(18) atoms to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. The Fe(1)-O(12) bond length is 2.20 Å. The Fe(1)-O(14) bond length is 2.20 Å. The Fe(1)-O(21) bond length is 2.23 Å. The Fe(1)-O(24) bond length is 2.36 Å. Both Fe(1)-O(18) bond lengths are 2.04 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(20), and one O(4) atom. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(20) bond length is 1.30 Å. The C(1)-O(4) bond length is 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(23), one O(3), and one O(6) atom. The C(2)-O(23) bond length is 1.30 Å. The C(2)-O(3) bond length is 1.29 Å. The C(2)-O(6) bond length is 1.31 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(19), one O(2), and one O(22) atom. The C(3)-O(19) bond length is 1.31 Å. The C(3)-O(2) bond length is 1.31 Å. The C(3)-O(22) bond length is 1.28 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(21), one O(24), and one O(5) atom. The C(4)-O(21) bond length is 1.30 Å. The C(4)-O(24) bond length is 1.29 Å. The C(4)-O(5) bond length is 1.31 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-67°. The P(1)-O(10) bond length is 1.55 Å. The P(1)-O(14) bond length is 1.55 Å. Both P(1)-O(7) bond lengths are 1.56 Å. In the second P site, P(2) is bonded to one O(12), one O(16), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-63°. The P(2)-O(12) bond length is 1.56 Å. The P(2)-O(16) bond length is 1.54 Å. Both P(2)-O(8) bond lengths are 1.56 Å. In the third P site, P(3) is bonded to one O(13), one O(9), and two equivalent O(17) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-66°. The P(3)-O(13) bond length is 1.55 Å. The P(3)-O(9) bond length is 1.55 Å. Both P(3)-O(17) bond lengths are 1.56 Å. In the fourth P site, P(4) is bonded to one O(11), one O(15), and two equivalent O(18) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-66°. The P(4)-O(11) bond length is 1.55 Å. The P(4)-O(15) bond length is 1.55 Å. Both P(4)-O(18) bond lengths are 1.56 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(8), one Cr(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and one C(3) atom to form a mixture of edge and corner-sharing OLi3C tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(7), one Cr(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Cr(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(4), and one C(4) atom to form OLi3C tetrahedra that share corners with two equivalent O(11)Li2CrP trigonal pyramids, corners with two equivalent O(7)Li2CrP trigonal pyramids, corners with two equivalent O(8)Li2CrP trigonal pyramids, and  an edgeedge with one O(12)Li2FeP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Cr(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Cr(1), and one P(1) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(10)Li2CrP tetrahedra,  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(7)Li2CrP trigonal pyramid,  an edgeedge with one O(11)Li2CrP trigonal pyramid, and  an edgeedge with one O(7)Li2CrP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Cr(2), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(10)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2CrP trigonal pyramid,  a cornercorner with one O(8)Li2CrP trigonal pyramid,  an edgeedge with one O(8)Li2CrP trigonal pyramid, and  an edgeedge with one O(9)Li2CrP trigonal pyramid. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Cr(2), and one P(3) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra, corners with two equivalent O(10)Li2CrP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with two equivalent O(17)Li2CrP trigonal pyramids, and edges with two equivalent O(8)Li2CrP trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Cr(3), and one P(1) atom to form OLi2CrP tetrahedra that share  a cornercorner with one O(16)Li2CrP trigonal pyramid, corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(7)Li2CrP trigonal pyramids, corners with two equivalent O(8)Li2CrP trigonal pyramids, corners with two equivalent O(9)Li2CrP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Li(4), one Cr(1), and one P(4) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra, corners with two equivalent O(12)Li2FeP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra, corners with two equivalent O(18)Li2FeP trigonal pyramids, and edges with two equivalent O(7)Li2CrP trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one Fe(1), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(16)Li2CrP trigonal pyramid, corners with two equivalent O(11)Li2CrP trigonal pyramids, corners with two equivalent O(7)Li2CrP trigonal pyramids, corners with two equivalent O(8)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the thirteenth O site, O(13) is bonded to two equivalent Li(5), one Cr(1), and one P(3) atom to form OLi2CrP tetrahedra that share  a cornercorner with one O(11)Li2CrP trigonal pyramid,  a cornercorner with one O(9)Li2CrP trigonal pyramid, corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(7)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(20)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Fe(1), and one P(1) atom. In the fifteenth O site, O(15) is bonded to two equivalent Li(6), one Cr(2), and one P(4) atom to form OLi2CrP tetrahedra that share  a cornercorner with one O(11)Li2CrP trigonal pyramid,  a cornercorner with one O(9)Li2CrP trigonal pyramid, corners with two equivalent O(16)Li2CrP trigonal pyramids, corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(8)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(23)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to two equivalent Li(6), one Cr(3), and one P(2) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(10)Li2CrP tetrahedra,  a cornercorner with one O(12)Li2FeP tetrahedra, corners with two equivalent O(15)Li2CrP tetrahedra, corners with two equivalent O(23)Li3C tetrahedra, corners with two equivalent O(8)Li2CrP trigonal pyramids, and edges with two equivalent O(17)Li2CrP trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Li(6), one Li(7), one Cr(3), and one P(3) atom to form distorted OLi2CrP trigonal pyramids that share  a cornercorner with one O(10)Li2CrP tetrahedra,  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(17)Li2CrP trigonal pyramid,  a cornercorner with one O(9)Li2CrP trigonal pyramid,  an edgeedge with one O(16)Li2CrP trigonal pyramid, and  an edgeedge with one O(17)Li2CrP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(5), one Li(8), one Fe(1), and one P(4) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(13)Li2CrP tetrahedra,  a cornercorner with one O(15)Li2CrP tetrahedra,  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(11)Li2CrP trigonal pyramid,  a cornercorner with one O(18)Li2FeP trigonal pyramid, and  an edgeedge with one O(18)Li2FeP trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Cr(3), and one C(3) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Li(5), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(13)Li2CrP tetrahedra. In the twenty-first O site, O(21) is bonded in a 1-coordinate geometry to two equivalent Li(6), one Fe(1), and one C(4) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Cr(3), and one C(3) atom. In the twenty-third O site, O(23) is bonded to one Li(8), two equivalent Li(6), and one C(2) atom to form OLi3C tetrahedra that share corners with two equivalent O(16)Li2CrP trigonal pyramids, corners with two equivalent O(17)Li2CrP trigonal pyramids, corners with two equivalent O(18)Li2FeP trigonal pyramids, and  an edgeedge with one O(15)Li2CrP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Fe(1), and one C(4) atom.