The material structure described by Li2CrO3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with four equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Cr(1)O5 trigonal bipyramids, edges with two equivalent Cr(1)O5 trigonal bipyramids, and edges with four equivalent Li(1)O5 trigonal bipyramids. Cr(1) is bonded to one O(2) and four equivalent O(1) atoms to form CrO5 trigonal bipyramids that share corners with eight equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Cr(1)O5 trigonal bipyramids, and edges with four equivalent Li(1)O5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and two equivalent Cr(1) atoms to form OLi3Cr2 trigonal bipyramids that share corners with four equivalent O(1)Li3Cr2 trigonal bipyramids, corners with four equivalent O(2)Li4Cr trigonal bipyramids, edges with two equivalent O(2)Li4Cr trigonal bipyramids, and edges with four equivalent O(1)Li3Cr2 trigonal bipyramids. In the second O site, O(2) is bonded to four equivalent Li(1) and one Cr(1) atom to form OLi4Cr trigonal bipyramids that share corners with eight equivalent O(1)Li3Cr2 trigonal bipyramids, edges with two equivalent O(2)Li4Cr trigonal bipyramids, and edges with four equivalent O(1)Li3Cr2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2CrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.781
_cell_length_b   5.781
_cell_length_c   5.262
_cell_angle_alpha   57.016
_cell_angle_beta   122.984
_cell_angle_gamma   120.583
_symmetry_Int_Tables_number   1
_cell_volume   117.959
_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
  Li  Li0  1  0.260  0.582  0.754  1.0
  Li  Li1  1  0.418  0.740  0.254  1.0
  Li  Li2  1  0.582  0.260  0.746  1.0
  Li  Li3  1  0.740  0.418  0.246  1.0
  Cr  Cr4  1  0.914  0.914  0.750  1.0
  Cr  Cr5  1  0.086  0.086  0.250  1.0
  O  O6  1  0.218  0.918  0.732  1.0
  O  O7  1  0.082  0.782  0.232  1.0
  O  O8  1  0.610  0.610  0.750  1.0
  O  O9  1  0.390  0.390  0.250  1.0
  O  O10  1  0.918  0.218  0.768  1.0
  O  O11  1  0.782  0.082  0.268  1.0
[/CIF]
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The material structure described by Li2CrO3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form LiO5 trigonal bipyramids that share corners with four equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Cr(1)O5 trigonal bipyramids, edges with two equivalent Cr(1)O5 trigonal bipyramids, and edges with four equivalent Li(1)O5 trigonal bipyramids. Cr(1) is bonded to one O(2) and four equivalent O(1) atoms to form CrO5 trigonal bipyramids that share corners with eight equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Cr(1)O5 trigonal bipyramids, and edges with four equivalent Li(1)O5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and two equivalent Cr(1) atoms to form OLi3Cr2 trigonal bipyramids that share corners with four equivalent O(1)Li3Cr2 trigonal bipyramids, corners with four equivalent O(2)Li4Cr trigonal bipyramids, edges with two equivalent O(2)Li4Cr trigonal bipyramids, and edges with four equivalent O(1)Li3Cr2 trigonal bipyramids. In the second O site, O(2) is bonded to four equivalent Li(1) and one Cr(1) atom to form OLi4Cr trigonal bipyramids that share corners with eight equivalent O(1)Li3Cr2 trigonal bipyramids, edges with two equivalent O(2)Li4Cr trigonal bipyramids, and edges with four equivalent O(1)Li3Cr2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li2CrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.781
_cell_length_b   5.781
_cell_length_c   5.262
_cell_angle_alpha   57.016
_cell_angle_beta   122.984
_cell_angle_gamma   120.583
_symmetry_Int_Tables_number   1
_cell_volume   117.959
_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
  Li  Li0  1  0.260  0.582  0.754  1.0
  Li  Li1  1  0.418  0.740  0.254  1.0
  Li  Li2  1  0.582  0.260  0.746  1.0
  Li  Li3  1  0.740  0.418  0.246  1.0
  Cr  Cr4  1  0.914  0.914  0.750  1.0
  Cr  Cr5  1  0.086  0.086  0.250  1.0
  O  O6  1  0.218  0.918  0.732  1.0
  O  O7  1  0.082  0.782  0.232  1.0
  O  O8  1  0.610  0.610  0.750  1.0
  O  O9  1  0.390  0.390  0.250  1.0
  O  O10  1  0.918  0.218  0.768  1.0
  O  O11  1  0.782  0.082  0.268  1.0
[/CIF]
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