The structure described by 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. is represented by the CIF file [CIF]
data_LiMn(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   5.740
_cell_length_c   7.496
_cell_angle_alpha   73.380
_cell_angle_beta   89.302
_cell_angle_gamma   89.839
_symmetry_Int_Tables_number   1
_cell_volume   196.225
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C0  1  0.483  0.989  0.743  1.0
  C  C1  1  0.005  0.486  0.249  1.0
  C  C2  1  0.518  0.011  0.257  1.0
  C  C3  1  0.995  0.514  0.751  1.0
  Li  Li4  1  1.000  0.999  1.000  1.0
  Li  Li5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.500  0.500  1.000  1.0
  O  O8  1  0.791  0.018  0.262  1.0
  O  O9  1  0.261  0.490  0.751  1.0
  O  O10  1  0.136  0.336  0.387  1.0
  O  O11  1  0.610  0.844  0.887  1.0
  O  O12  1  0.628  0.136  0.617  1.0
  O  O13  1  0.156  0.620  0.111  1.0
  O  O14  1  0.372  0.864  0.383  1.0
  O  O15  1  0.843  0.381  0.889  1.0
  O  O16  1  0.864  0.665  0.613  1.0
  O  O17  1  0.391  0.156  0.113  1.0
  O  O18  1  0.209  0.982  0.738  1.0
  O  O19  1  0.739  0.510  0.249  1.0
[/CIF]
.
The structure described by 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. is represented by the CIF file [CIF]
data_LiMn(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.760
_cell_length_b   5.740
_cell_length_c   7.496
_cell_angle_alpha   73.380
_cell_angle_beta   89.302
_cell_angle_gamma   89.839
_symmetry_Int_Tables_number   1
_cell_volume   196.225
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C0  1  0.483  0.989  0.743  1.0
  C  C1  1  0.005  0.486  0.249  1.0
  C  C2  1  0.518  0.011  0.257  1.0
  C  C3  1  0.995  0.514  0.751  1.0
  Li  Li4  1  1.000  0.999  1.000  1.0
  Li  Li5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.000  0.500  1.0
  Mn  Mn7  1  0.500  0.500  1.000  1.0
  O  O8  1  0.791  0.018  0.262  1.0
  O  O9  1  0.261  0.490  0.751  1.0
  O  O10  1  0.136  0.336  0.387  1.0
  O  O11  1  0.610  0.844  0.887  1.0
  O  O12  1  0.628  0.136  0.617  1.0
  O  O13  1  0.156  0.620  0.111  1.0
  O  O14  1  0.372  0.864  0.383  1.0
  O  O15  1  0.843  0.381  0.889  1.0
  O  O16  1  0.864  0.665  0.613  1.0
  O  O17  1  0.391  0.156  0.113  1.0
  O  O18  1  0.209  0.982  0.738  1.0
  O  O19  1  0.739  0.510  0.249  1.0
[/CIF]
.