The crystal structure described by LiMn(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two O(1,1); two O(2,2); and two O(3,3) atoms to form LiO6 octahedra that share corners with six Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the third Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two O(1,1); two O(2,2); and two O(3,3) atoms to form MnO6 octahedra that share corners with six Li(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Mn site, Mn(1) is bonded to two O(1,1); two O(2,2); and two O(3,3) atoms to form MnO6 octahedra that share corners with six Li(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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(2), and one O(3) atom. In the second C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the third C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the fourth C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the fifth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the seventh O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the eighth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the ninth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the tenth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the eleventh O site, O(3) 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(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. is represented by the CIF file [CIF]
data_LiMn(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.599
_cell_length_b   4.727
_cell_length_c   5.732
_cell_angle_alpha   68.367
_cell_angle_beta   66.595
_cell_angle_gamma   61.895
_symmetry_Int_Tables_number   1
_cell_volume   98.304
_cell_formula_units_Z   1
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  0.233  0.252  0.266  1.0
  C  C1  1  0.767  0.748  0.734  1.0
  Li  Li2  1  1.000  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.755  0.016  0.749  1.0
  O  O5  1  0.953  0.518  0.272  1.0
  O  O6  1  0.508  0.269  0.269  1.0
  O  O7  1  0.492  0.731  0.731  1.0
  O  O8  1  0.047  0.482  0.728  1.0
  O  O9  1  0.245  0.984  0.251  1.0
[/CIF]
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The crystal structure described by LiMn(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two O(1,1); two O(2,2); and two O(3,3) atoms to form LiO6 octahedra that share corners with six Mn(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the third Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two O(1,1); two O(2,2); and two O(3,3) atoms to form MnO6 octahedra that share corners with six Li(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Mn site, Mn(1) is bonded to two O(1,1); two O(2,2); and two O(3,3) atoms to form MnO6 octahedra that share corners with six Li(1,1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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(2), and one O(3) atom. In the second C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the third C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the fourth C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the fifth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the seventh O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the eighth O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the ninth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the tenth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. In the eleventh O site, O(3) 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(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one C(1) atom. is represented by the CIF file [CIF]
data_LiMn(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.599
_cell_length_b   4.727
_cell_length_c   5.732
_cell_angle_alpha   68.367
_cell_angle_beta   66.595
_cell_angle_gamma   61.895
_symmetry_Int_Tables_number   1
_cell_volume   98.304
_cell_formula_units_Z   1
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  0.233  0.252  0.266  1.0
  C  C1  1  0.767  0.748  0.734  1.0
  Li  Li2  1  1.000  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.755  0.016  0.749  1.0
  O  O5  1  0.953  0.518  0.272  1.0
  O  O6  1  0.508  0.269  0.269  1.0
  O  O7  1  0.492  0.731  0.731  1.0
  O  O8  1  0.047  0.482  0.728  1.0
  O  O9  1  0.245  0.984  0.251  1.0
[/CIF]
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