The material structure described by LiMnCO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(2), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.488
_cell_length_c   10.104
_cell_angle_alpha   79.149
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.334
_cell_formula_units_Z   4
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
  Li  Li0  1  0.671  0.850  0.823  1.0
  Li  Li1  1  0.829  0.850  0.323  1.0
  Li  Li2  1  0.171  0.150  0.677  1.0
  Li  Li3  1  0.329  0.150  0.177  1.0
  Mn  Mn4  1  0.378  0.583  0.642  1.0
  Mn  Mn5  1  0.878  0.417  0.858  1.0
  Mn  Mn6  1  0.122  0.583  0.142  1.0
  Mn  Mn7  1  0.622  0.417  0.358  1.0
  C  C8  1  0.217  0.795  0.918  1.0
  C  C9  1  0.283  0.795  0.418  1.0
  C  C10  1  0.717  0.205  0.582  1.0
  C  C11  1  0.783  0.205  0.082  1.0
  O  O12  1  0.283  0.899  0.805  1.0
  O  O13  1  0.217  0.899  0.305  1.0
  O  O14  1  0.982  0.735  0.950  1.0
  O  O15  1  0.518  0.735  0.450  1.0
  O  O16  1  0.120  0.734  0.514  1.0
  O  O17  1  0.672  0.595  0.740  1.0
  O  O18  1  0.380  0.734  0.014  1.0
  O  O19  1  0.828  0.595  0.240  1.0
  O  O20  1  0.172  0.405  0.760  1.0
  O  O21  1  0.620  0.266  0.986  1.0
  O  O22  1  0.328  0.405  0.260  1.0
  O  O23  1  0.880  0.266  0.486  1.0
  O  O24  1  0.482  0.265  0.550  1.0
  O  O25  1  0.018  0.265  0.050  1.0
  O  O26  1  0.783  0.101  0.695  1.0
  O  O27  1  0.717  0.101  0.195  1.0
[/CIF]
.
The material structure described by LiMnCO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(2), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.488
_cell_length_c   10.104
_cell_angle_alpha   79.149
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.334
_cell_formula_units_Z   4
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
  Li  Li0  1  0.671  0.850  0.823  1.0
  Li  Li1  1  0.829  0.850  0.323  1.0
  Li  Li2  1  0.171  0.150  0.677  1.0
  Li  Li3  1  0.329  0.150  0.177  1.0
  Mn  Mn4  1  0.378  0.583  0.642  1.0
  Mn  Mn5  1  0.878  0.417  0.858  1.0
  Mn  Mn6  1  0.122  0.583  0.142  1.0
  Mn  Mn7  1  0.622  0.417  0.358  1.0
  C  C8  1  0.217  0.795  0.918  1.0
  C  C9  1  0.283  0.795  0.418  1.0
  C  C10  1  0.717  0.205  0.582  1.0
  C  C11  1  0.783  0.205  0.082  1.0
  O  O12  1  0.283  0.899  0.805  1.0
  O  O13  1  0.217  0.899  0.305  1.0
  O  O14  1  0.982  0.735  0.950  1.0
  O  O15  1  0.518  0.735  0.450  1.0
  O  O16  1  0.120  0.734  0.514  1.0
  O  O17  1  0.672  0.595  0.740  1.0
  O  O18  1  0.380  0.734  0.014  1.0
  O  O19  1  0.828  0.595  0.240  1.0
  O  O20  1  0.172  0.405  0.760  1.0
  O  O21  1  0.620  0.266  0.986  1.0
  O  O22  1  0.328  0.405  0.260  1.0
  O  O23  1  0.880  0.266  0.486  1.0
  O  O24  1  0.482  0.265  0.550  1.0
  O  O25  1  0.018  0.265  0.050  1.0
  O  O26  1  0.783  0.101  0.695  1.0
  O  O27  1  0.717  0.101  0.195  1.0
[/CIF]
.