LiMnCPO7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), one O(6), 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, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-73°. In the second Li site, Li(2) 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 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, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-72°. In the third Li site, Li(3) is bonded to one O(16), one O(17), one O(19), one O(20), and one O(21) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-74°. In the fourth Li site, Li(4) is bonded to one O(22), one O(23), one O(25), one O(26), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-73°. There are four inequivalent Mn sites. In the first Mn site, Mn(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 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(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Mn site, Mn(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 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(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(15), one O(17), one O(18), one O(19), one O(20), and one O(22) atom to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(21), one O(23), one O(24), one O(25), one O(26), and one O(28) atom to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. 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(27), 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(16) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(17) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(28) atom. There are four 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. In the third P site, P(3) is bonded to one O(18), one O(19), one O(21), and one O(23) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-49°. In the fourth P site, P(4) is bonded to one O(20), one O(22), one O(24), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one C(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one 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 in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one C(3) atom. In the fourteenth O site, O(14) is bonded in an L-shaped geometry to one Mn(2) and one C(2) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Mn(3) and one C(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one C(2) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(3), and one C(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(3), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(4), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(4), and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Li(4) and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in an L-shaped geometry to one Mn(4) and one C(4) atom.
LiMnCPO7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), one O(6), 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, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-73°. The Li(1)-O(2) bond length is 1.92 Å. The Li(1)-O(3) bond length is 2.29 Å. The Li(1)-O(4) bond length is 2.17 Å. The Li(1)-O(6) bond length is 2.12 Å. The Li(1)-O(7) bond length is 2.33 Å. In the second Li site, Li(2) 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 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, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-72°. The Li(2)-O(11) bond length is 2.15 Å. The Li(2)-O(12) bond length is 2.27 Å. The Li(2)-O(13) bond length is 1.92 Å. The Li(2)-O(8) bond length is 2.33 Å. The Li(2)-O(9) bond length is 2.16 Å. In the third Li site, Li(3) is bonded to one O(16), one O(17), one O(19), one O(20), and one O(21) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-74°. The Li(3)-O(16) bond length is 1.91 Å. The Li(3)-O(17) bond length is 2.27 Å. The Li(3)-O(19) bond length is 2.17 Å. The Li(3)-O(20) bond length is 2.14 Å. The Li(3)-O(21) bond length is 2.30 Å. In the fourth Li site, Li(4) is bonded to one O(22), one O(23), one O(25), one O(26), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-73°. The Li(4)-O(22) bond length is 2.33 Å. The Li(4)-O(23) bond length is 2.16 Å. The Li(4)-O(25) bond length is 2.18 Å. The Li(4)-O(26) bond length is 2.24 Å. The Li(4)-O(27) bond length is 1.93 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(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 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(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-O(3) bond length is 1.96 Å. The Mn(1)-O(4) bond length is 1.95 Å. The Mn(1)-O(5) bond length is 1.89 Å. The Mn(1)-O(6) bond length is 1.98 Å. The Mn(1)-O(8) bond length is 1.97 Å. In the second Mn site, Mn(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 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(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The Mn(2)-O(10) bond length is 1.89 Å. The Mn(2)-O(11) bond length is 1.96 Å. The Mn(2)-O(12) bond length is 1.96 Å. The Mn(2)-O(14) bond length is 1.98 Å. The Mn(2)-O(7) bond length is 1.97 Å. The Mn(2)-O(9) bond length is 1.98 Å. In the third Mn site, Mn(3) is bonded to one O(15), one O(17), one O(18), one O(19), one O(20), and one O(22) atom to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The Mn(3)-O(15) bond length is 1.98 Å. The Mn(3)-O(17) bond length is 1.96 Å. The Mn(3)-O(18) bond length is 1.89 Å. The Mn(3)-O(19) bond length is 1.95 Å. The Mn(3)-O(20) bond length is 1.97 Å. The Mn(3)-O(22) bond length is 1.97 Å. In the fourth Mn site, Mn(4) is bonded to one O(21), one O(23), one O(24), one O(25), one O(26), and one O(28) atom to form MnO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The Mn(4)-O(21) bond length is 1.97 Å. The Mn(4)-O(23) bond length is 1.97 Å. The Mn(4)-O(24) bond length is 1.90 Å. The Mn(4)-O(25) bond length is 1.94 Å. The Mn(4)-O(26) bond length is 1.96 Å. The Mn(4)-O(28) bond length is 1.97 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(27), and one O(3) atom. The C(1)-O(1) bond length is 1.32 Å. The C(1)-O(27) bond length is 1.23 Å. The C(1)-O(3) bond length is 1.33 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(16) atom. The C(2)-O(12) bond length is 1.33 Å. The C(2)-O(14) bond length is 1.32 Å. The C(2)-O(16) bond length is 1.23 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(13), one O(15), and one O(17) atom. The C(3)-O(13) bond length is 1.23 Å. The C(3)-O(15) bond length is 1.32 Å. The C(3)-O(17) bond length is 1.33 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(26), and one O(28) atom. The C(4)-O(2) bond length is 1.23 Å. The C(4)-O(26) bond length is 1.33 Å. The C(4)-O(28) bond length is 1.32 Å. There are four 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.56 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-49°. The P(2)-O(10) bond length is 1.54 Å. The P(2)-O(11) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(18), one O(19), one O(21), and one O(23) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, and corners with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-49°. The P(3)-O(18) bond length is 1.53 Å. The P(3)-O(19) bond length is 1.56 Å. The P(3)-O(21) bond length is 1.56 Å. The P(3)-O(23) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(20), one O(22), one O(24), and one O(25) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and corners with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 33-49°. The P(4)-O(20) bond length is 1.54 Å. The P(4)-O(22) bond length is 1.56 Å. The P(4)-O(24) bond length is 1.53 Å. The P(4)-O(25) bond length is 1.56 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one C(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one 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 in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Li(2) and one C(3) atom. In the fourteenth O site, O(14) is bonded in an L-shaped geometry to one Mn(2) and one C(2) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Mn(3) and one C(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one C(2) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(3), and one C(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(3), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(4), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(4), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(4), and one P(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted T-shaped geometry to one Li(4), one Mn(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 120 degrees geometry to one Li(4) and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in an L-shaped geometry to one Mn(4) and one C(4) atom.