LiMn(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(11), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), 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(1), one O(10), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one C(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one C(4) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one C(2) atom.
LiMn(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. The Li(1)-O(1) bond length is 2.22 Å. The Li(1)-O(10) bond length is 2.34 Å. The Li(1)-O(11) bond length is 2.22 Å. The Li(1)-O(4) bond length is 2.33 Å. The Li(1)-O(6) bond length is 2.23 Å. The Li(1)-O(8) bond length is 2.24 Å. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Li(2)-O(12) bond length is 2.17 Å. The Li(2)-O(2) bond length is 2.18 Å. The Li(2)-O(3) bond length is 2.26 Å. The Li(2)-O(5) bond length is 2.11 Å. The Li(2)-O(7) bond length is 2.11 Å. The Li(2)-O(9) bond length is 2.26 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. The Mn(1)-O(1) bond length is 2.03 Å. The Mn(1)-O(11) bond length is 2.03 Å. The Mn(1)-O(3) bond length is 1.98 Å. The Mn(1)-O(5) bond length is 2.21 Å. The Mn(1)-O(7) bond length is 2.20 Å. The Mn(1)-O(9) bond length is 1.98 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. The Mn(2)-O(10) bond length is 1.98 Å. The Mn(2)-O(12) bond length is 2.21 Å. The Mn(2)-O(2) bond length is 2.21 Å. The Mn(2)-O(4) bond length is 1.98 Å. The Mn(2)-O(6) bond length is 2.03 Å. The Mn(2)-O(8) bond length is 2.03 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(11), one O(4), and one O(5) atom. The C(1)-O(11) bond length is 1.31 Å. The C(1)-O(4) bond length is 1.31 Å. The C(1)-O(5) bond length is 1.27 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(12), one O(3), and one O(6) atom. The C(2)-O(12) bond length is 1.27 Å. The C(2)-O(3) bond length is 1.31 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(1), one O(10), and one O(7) atom. The C(3)-O(1) bond length is 1.31 Å. The C(3)-O(10) bond length is 1.31 Å. The C(3)-O(7) bond length is 1.27 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(8), and one O(9) atom. The C(4)-O(2) bond length is 1.27 Å. The C(4)-O(8) bond length is 1.31 Å. The C(4)-O(9) bond length is 1.31 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one C(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one C(4) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one C(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one C(2) atom.