The compound described by Li2CrO4 crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_Li2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.068
_cell_length_b   5.362
_cell_length_c   6.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.955
_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  0.993  0.322  0.246  1.0
  Li  Li1  1  0.493  0.678  0.254  1.0
  Li  Li2  1  0.493  0.678  0.746  1.0
  Li  Li3  1  0.993  0.322  0.754  1.0
  Cr  Cr4  1  0.002  0.822  0.000  1.0
  Cr  Cr5  1  0.502  0.178  0.500  1.0
  O  O6  1  0.916  0.121  0.000  1.0
  O  O7  1  0.329  0.796  0.000  1.0
  O  O8  1  0.884  0.678  0.203  1.0
  O  O9  1  0.384  0.322  0.297  1.0
  O  O10  1  0.829  0.204  0.500  1.0
  O  O11  1  0.416  0.879  0.500  1.0
  O  O12  1  0.384  0.322  0.703  1.0
  O  O13  1  0.884  0.678  0.797  1.0
[/CIF]
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The compound described by Li2CrO4 crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form CrO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_Li2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.068
_cell_length_b   5.362
_cell_length_c   6.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.955
_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  0.993  0.322  0.246  1.0
  Li  Li1  1  0.493  0.678  0.254  1.0
  Li  Li2  1  0.493  0.678  0.746  1.0
  Li  Li3  1  0.993  0.322  0.754  1.0
  Cr  Cr4  1  0.002  0.822  0.000  1.0
  Cr  Cr5  1  0.502  0.178  0.500  1.0
  O  O6  1  0.916  0.121  0.000  1.0
  O  O7  1  0.329  0.796  0.000  1.0
  O  O8  1  0.884  0.678  0.203  1.0
  O  O9  1  0.384  0.322  0.297  1.0
  O  O10  1  0.829  0.204  0.500  1.0
  O  O11  1  0.416  0.879  0.500  1.0
  O  O12  1  0.384  0.322  0.703  1.0
  O  O13  1  0.884  0.678  0.797  1.0
[/CIF]
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