Li5Mn2P2(CO7)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 68-84°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(8), and two equivalent O(10) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(8), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(7), one O(9), and two equivalent O(10) atoms to form distorted MnO6 octahedra that share corners with four 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(1), one O(3), and one O(8) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(7), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with six equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-62°. In the second P site, P(2) is bonded to one O(11), one O(12), and two equivalent O(10) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form corner-sharing OLi2MnP tetrahedra. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Mn(2) and one C(2) atom. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(3), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(9)Li2MnC trigonal pyramids, corners with four equivalent O(10)Li2MnP trigonal pyramids, and  an edgeedge with one O(12)Li2MnP tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Mn(2), and one C(2) atom to form distorted OLi2MnC trigonal pyramids that share corners with two equivalent O(8)Li3C tetrahedra, corners with three equivalent O(12)Li2MnP tetrahedra, and corners with four equivalent O(10)Li2MnP trigonal pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Mn(2), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(8)Li3C tetrahedra, corners with three equivalent O(12)Li2MnP tetrahedra,  a cornercorner with one O(10)Li2MnP trigonal pyramid, corners with two equivalent O(9)Li2MnC trigonal pyramids, and  an edgeedge with one O(10)Li2MnP trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to two equivalent Li(3), one Mn(2), and one P(2) atom to form distorted OLi2MnP tetrahedra that share corners with three equivalent O(9)Li2MnC trigonal pyramids, corners with six equivalent O(10)Li2MnP trigonal pyramids, and  an edgeedge with one O(8)Li3C tetrahedra.
Li5Mn2P2(CO7)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 68-84°. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(3) bond length is 2.44 Å. The Li(1)-O(4) bond length is 2.13 Å. The Li(1)-O(5) bond length is 2.20 Å. The Li(1)-O(6) bond length is 2.20 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(8), and two equivalent O(10) atoms. The Li(2)-O(1) bond length is 1.92 Å. The Li(2)-O(8) bond length is 2.01 Å. Both Li(2)-O(10) bond lengths are 2.23 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(8), and one O(9) atom. The Li(3)-O(10) bond length is 2.25 Å. The Li(3)-O(11) bond length is 2.17 Å. The Li(3)-O(12) bond length is 2.46 Å. The Li(3)-O(8) bond length is 2.07 Å. The Li(3)-O(9) bond length is 2.18 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. The Mn(1)-O(1) bond length is 2.44 Å. The Mn(1)-O(3) bond length is 2.16 Å. The Mn(1)-O(5) bond length is 2.14 Å. The Mn(1)-O(6) bond length is 2.17 Å. Both Mn(1)-O(4) bond lengths are 2.03 Å. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(7), one O(9), and two equivalent O(10) atoms to form distorted MnO6 octahedra that share corners with four equivalent P(2)O4 tetrahedra. The Mn(2)-O(11) bond length is 2.18 Å. The Mn(2)-O(12) bond length is 2.04 Å. The Mn(2)-O(7) bond length is 2.08 Å. The Mn(2)-O(9) bond length is 2.22 Å. Both Mn(2)-O(10) bond lengths are 2.07 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(3), and one O(8) atom. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(3) bond length is 1.31 Å. The C(1)-O(8) bond length is 1.31 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(7), and one O(9) atom. The C(2)-O(2) bond length is 1.26 Å. The C(2)-O(7) bond length is 1.31 Å. The C(2)-O(9) bond length is 1.32 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with six equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-62°. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.57 Å. Both P(1)-O(4) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(11), one O(12), and two equivalent O(10) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. The P(2)-O(11) bond length is 1.54 Å. The P(2)-O(12) bond length is 1.57 Å. Both P(2)-O(10) bond lengths are 1.55 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form corner-sharing OLi2MnP tetrahedra. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Mn(2) and one C(2) atom. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(3), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(9)Li2MnC trigonal pyramids, corners with four equivalent O(10)Li2MnP trigonal pyramids, and  an edgeedge with one O(12)Li2MnP tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Mn(2), and one C(2) atom to form distorted OLi2MnC trigonal pyramids that share corners with two equivalent O(8)Li3C tetrahedra, corners with three equivalent O(12)Li2MnP tetrahedra, and corners with four equivalent O(10)Li2MnP trigonal pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Mn(2), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share corners with two equivalent O(8)Li3C tetrahedra, corners with three equivalent O(12)Li2MnP tetrahedra,  a cornercorner with one O(10)Li2MnP trigonal pyramid, corners with two equivalent O(9)Li2MnC trigonal pyramids, and  an edgeedge with one O(10)Li2MnP trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded to two equivalent Li(3), one Mn(2), and one P(2) atom to form distorted OLi2MnP tetrahedra that share corners with three equivalent O(9)Li2MnC trigonal pyramids, corners with six equivalent O(10)Li2MnP trigonal pyramids, and  an edgeedge with one O(8)Li3C tetrahedra.