The material described by Li2CrO3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with five equivalent Cr(1)O4 tetrahedra and corners with seven equivalent Li(1)O4 tetrahedra. Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra and corners with ten equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and one Cr(1) atom to form OLi3Cr tetrahedra that share corners with five equivalent O(2)Li2Cr2 tetrahedra and corners with seven equivalent O(1)Li3Cr tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1) and two equivalent Cr(1) atoms to form OLi2Cr2 tetrahedra that share corners with two equivalent O(2)Li2Cr2 tetrahedra and corners with ten equivalent O(1)Li3Cr tetrahedra. is represented by the CIF card [CIF]
data_Li2CrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.606
_cell_length_b   5.560
_cell_length_c   4.992
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.724
_symmetry_Int_Tables_number   1
_cell_volume   134.377
_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  0.835  0.659  0.522  1.0
  Li  Li1  1  0.506  0.659  0.022  1.0
  Li  Li2  1  0.494  0.341  0.522  1.0
  Li  Li3  1  0.165  0.341  0.022  1.0
  Cr  Cr4  1  0.823  0.000  0.018  1.0
  Cr  Cr5  1  0.177  1.000  0.518  1.0
  O  O6  1  0.829  0.694  0.921  1.0
  O  O7  1  0.477  0.694  0.421  1.0
  O  O8  1  0.523  0.306  0.921  1.0
  O  O9  1  0.171  0.306  0.421  1.0
  O  O10  1  0.863  1.000  0.392  1.0
  O  O11  1  0.137  0.000  0.892  1.0
[/CIF]
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The material described by Li2CrO3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with five equivalent Cr(1)O4 tetrahedra and corners with seven equivalent Li(1)O4 tetrahedra. Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra and corners with ten equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and one Cr(1) atom to form OLi3Cr tetrahedra that share corners with five equivalent O(2)Li2Cr2 tetrahedra and corners with seven equivalent O(1)Li3Cr tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1) and two equivalent Cr(1) atoms to form OLi2Cr2 tetrahedra that share corners with two equivalent O(2)Li2Cr2 tetrahedra and corners with ten equivalent O(1)Li3Cr tetrahedra. is represented by the CIF card [CIF]
data_Li2CrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.606
_cell_length_b   5.560
_cell_length_c   4.992
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.724
_symmetry_Int_Tables_number   1
_cell_volume   134.377
_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  0.835  0.659  0.522  1.0
  Li  Li1  1  0.506  0.659  0.022  1.0
  Li  Li2  1  0.494  0.341  0.522  1.0
  Li  Li3  1  0.165  0.341  0.022  1.0
  Cr  Cr4  1  0.823  0.000  0.018  1.0
  Cr  Cr5  1  0.177  1.000  0.518  1.0
  O  O6  1  0.829  0.694  0.921  1.0
  O  O7  1  0.477  0.694  0.421  1.0
  O  O8  1  0.523  0.306  0.921  1.0
  O  O9  1  0.171  0.306  0.421  1.0
  O  O10  1  0.863  1.000  0.392  1.0
  O  O11  1  0.137  0.000  0.892  1.0
[/CIF]
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