The material described by LiMnCO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form corner-sharing LiO5 trigonal bipyramids. Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OLiMn3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 planar geometry to two equivalent Li(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.378
_cell_length_b   9.185
_cell_length_c   9.613
_cell_angle_alpha   90.000
_cell_angle_beta   98.253
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.127
_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  0.203  0.320  0.912  1.0
  Li  Li1  1  0.203  0.180  0.412  1.0
  Li  Li2  1  0.797  0.820  0.588  1.0
  Li  Li3  1  0.797  0.680  0.088  1.0
  Mn  Mn4  1  0.224  0.564  0.390  1.0
  Mn  Mn5  1  0.776  0.064  0.110  1.0
  Mn  Mn6  1  0.224  0.936  0.890  1.0
  Mn  Mn7  1  0.776  0.436  0.610  1.0
  C  C8  1  0.207  0.632  0.842  1.0
  C  C9  1  0.207  0.868  0.342  1.0
  C  C10  1  0.793  0.132  0.658  1.0
  C  C11  1  0.793  0.368  0.158  1.0
  O  O12  1  0.187  0.509  0.772  1.0
  O  O13  1  0.187  0.991  0.272  1.0
  O  O14  1  0.813  0.009  0.728  1.0
  O  O15  1  0.813  0.491  0.228  1.0
  O  O16  1  0.271  0.110  0.996  1.0
  O  O17  1  0.271  0.390  0.496  1.0
  O  O18  1  0.729  0.610  0.504  1.0
  O  O19  1  0.729  0.890  0.004  1.0
  O  O20  1  0.190  0.755  0.771  1.0
  O  O21  1  0.190  0.745  0.271  1.0
  O  O22  1  0.810  0.255  0.729  1.0
  O  O23  1  0.810  0.245  0.229  1.0
  O  O24  1  0.248  0.632  0.975  1.0
  O  O25  1  0.248  0.868  0.475  1.0
  O  O26  1  0.752  0.132  0.525  1.0
  O  O27  1  0.752  0.368  0.025  1.0
[/CIF]
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The material described by LiMnCO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form corner-sharing LiO5 trigonal bipyramids. Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OLiMn3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 planar geometry to two equivalent Li(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.378
_cell_length_b   9.185
_cell_length_c   9.613
_cell_angle_alpha   90.000
_cell_angle_beta   98.253
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.127
_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  0.203  0.320  0.912  1.0
  Li  Li1  1  0.203  0.180  0.412  1.0
  Li  Li2  1  0.797  0.820  0.588  1.0
  Li  Li3  1  0.797  0.680  0.088  1.0
  Mn  Mn4  1  0.224  0.564  0.390  1.0
  Mn  Mn5  1  0.776  0.064  0.110  1.0
  Mn  Mn6  1  0.224  0.936  0.890  1.0
  Mn  Mn7  1  0.776  0.436  0.610  1.0
  C  C8  1  0.207  0.632  0.842  1.0
  C  C9  1  0.207  0.868  0.342  1.0
  C  C10  1  0.793  0.132  0.658  1.0
  C  C11  1  0.793  0.368  0.158  1.0
  O  O12  1  0.187  0.509  0.772  1.0
  O  O13  1  0.187  0.991  0.272  1.0
  O  O14  1  0.813  0.009  0.728  1.0
  O  O15  1  0.813  0.491  0.228  1.0
  O  O16  1  0.271  0.110  0.996  1.0
  O  O17  1  0.271  0.390  0.496  1.0
  O  O18  1  0.729  0.610  0.504  1.0
  O  O19  1  0.729  0.890  0.004  1.0
  O  O20  1  0.190  0.755  0.771  1.0
  O  O21  1  0.190  0.745  0.271  1.0
  O  O22  1  0.810  0.255  0.729  1.0
  O  O23  1  0.810  0.245  0.229  1.0
  O  O24  1  0.248  0.632  0.975  1.0
  O  O25  1  0.248  0.868  0.475  1.0
  O  O26  1  0.752  0.132  0.525  1.0
  O  O27  1  0.752  0.368  0.025  1.0
[/CIF]
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