Li5Mn2P2(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 5-coordinate geometry to one O(10), one O(2), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(3), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-86°. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(3), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-80°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(4), one O(5), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 67-86°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(13), one O(14), one O(2), one O(4), and one O(8) atom to form distorted MnO6 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(5)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(12), one O(6), one O(7), and one O(9) atom to form distorted MnO6 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(5)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(3)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(2), one O(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(11), one O(13), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-61°. In the second P site, P(2) is bonded to one O(12), one O(14), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-61°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Mn(2) and one C(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Li(5), and one C(2) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(5), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(2), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(13)Li2MnP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra, and  an edgeedge with one O(10)Li2MnP trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(12)Li2MnP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra, corners with two equivalent O(13)Li2MnP tetrahedra,  an edgeedge with one O(14)Li2MnP trigonal pyramid, and  an edgeedge with one O(7)Li2MnP trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(2), and one P(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Mn(1), and one P(1) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(7)Li2MnP trigonal pyramid, corners with two equivalent O(10)Li2MnP trigonal pyramids, corners with two equivalent O(14)Li2MnP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(5), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(5)Li3C tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra, corners with two equivalent O(13)Li2MnP tetrahedra, and  an edgeedge with one O(10)Li2MnP trigonal pyramid.
Li5Mn2P2(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 5-coordinate geometry to one O(10), one O(2), one O(5), one O(6), and one O(7) atom. The Li(1)-O(10) bond length is 2.34 Å. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(5) bond length is 2.03 Å. The Li(1)-O(6) bond length is 2.51 Å. The Li(1)-O(7) bond length is 2.21 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), one O(3), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-86°. The Li(2)-O(10) bond length is 2.35 Å. The Li(2)-O(12) bond length is 2.27 Å. The Li(2)-O(14) bond length is 2.20 Å. The Li(2)-O(3) bond length is 2.02 Å. The Li(2)-O(6) bond length is 2.18 Å. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(3), one O(4), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-80°. The Li(3)-O(11) bond length is 2.18 Å. The Li(3)-O(12) bond length is 2.31 Å. The Li(3)-O(3) bond length is 2.01 Å. The Li(3)-O(4) bond length is 2.25 Å. The Li(3)-O(7) bond length is 2.33 Å. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(4), one O(5), and one O(9) atom. The Li(4)-O(11) bond length is 2.23 Å. The Li(4)-O(13) bond length is 2.31 Å. The Li(4)-O(4) bond length is 2.47 Å. The Li(4)-O(5) bond length is 2.02 Å. The Li(4)-O(9) bond length is 2.07 Å. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 67-86°. The Li(5)-O(13) bond length is 2.28 Å. The Li(5)-O(14) bond length is 2.21 Å. The Li(5)-O(5) bond length is 2.03 Å. The Li(5)-O(6) bond length is 2.36 Å. The Li(5)-O(8) bond length is 2.09 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(13), one O(14), one O(2), one O(4), and one O(8) atom to form distorted MnO6 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(5)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The Mn(1)-O(10) bond length is 1.99 Å. The Mn(1)-O(13) bond length is 2.17 Å. The Mn(1)-O(14) bond length is 2.06 Å. The Mn(1)-O(2) bond length is 2.34 Å. The Mn(1)-O(4) bond length is 2.06 Å. The Mn(1)-O(8) bond length is 1.98 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(12), one O(6), one O(7), and one O(9) atom to form distorted MnO6 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(5)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The Mn(2)-O(1) bond length is 2.23 Å. The Mn(2)-O(11) bond length is 2.19 Å. The Mn(2)-O(12) bond length is 2.14 Å. The Mn(2)-O(6) bond length is 2.23 Å. The Mn(2)-O(7) bond length is 2.07 Å. The Mn(2)-O(9) bond length is 2.06 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. The C(1)-O(2) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.27 Å. The C(1)-O(4) bond length is 1.33 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(6) atom. The C(2)-O(1) bond length is 1.27 Å. The C(2)-O(5) bond length is 1.31 Å. The C(2)-O(6) bond length is 1.32 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(11), one O(13), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-61°. The P(1)-O(10) bond length is 1.57 Å. The P(1)-O(11) bond length is 1.54 Å. The P(1)-O(13) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(12), one O(14), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(2)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-61°. The P(2)-O(12) bond length is 1.56 Å. The P(2)-O(14) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.55 Å. The P(2)-O(9) bond length is 1.52 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Mn(2) and one C(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Mn(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Li(5), and one C(2) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(5), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(2), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(13)Li2MnP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra, and  an edgeedge with one O(10)Li2MnP trigonal pyramid. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(12)Li2MnP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra, corners with two equivalent O(13)Li2MnP tetrahedra,  an edgeedge with one O(14)Li2MnP trigonal pyramid, and  an edgeedge with one O(7)Li2MnP trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Mn(2), and one P(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), one Li(3), one Mn(2), and one P(2) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Mn(1), and one P(1) atom to form distorted OLi2MnP tetrahedra that share  a cornercorner with one O(7)Li2MnP trigonal pyramid, corners with two equivalent O(10)Li2MnP trigonal pyramids, corners with two equivalent O(14)Li2MnP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(5), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(5)Li3C tetrahedra, corners with two equivalent O(12)Li2MnP tetrahedra, corners with two equivalent O(13)Li2MnP tetrahedra, and  an edgeedge with one O(10)Li2MnP trigonal pyramid.