The compound described by CsLiCrO4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a linear geometry to three equivalent Cs(1), one Li(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_CsLiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.139
_cell_length_b   5.730
_cell_length_c   11.395
_cell_angle_alpha   60.440
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.016
_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
  Cs  Cs0  1  0.998  0.453  0.780  1.0
  Cs  Cs1  1  0.502  0.453  0.280  1.0
  Cs  Cs2  1  0.002  0.547  0.220  1.0
  Cs  Cs3  1  0.498  0.547  0.720  1.0
  Li  Li4  1  0.313  0.849  0.913  1.0
  Li  Li5  1  0.687  0.151  0.087  1.0
  Li  Li6  1  0.813  0.151  0.587  1.0
  Li  Li7  1  0.187  0.849  0.413  1.0
  Cr  Cr8  1  0.291  0.187  0.074  1.0
  Cr  Cr9  1  0.709  0.813  0.926  1.0
  Cr  Cr10  1  0.209  0.187  0.574  1.0
  Cr  Cr11  1  0.791  0.813  0.426  1.0
  O  O12  1  0.770  0.879  0.774  1.0
  O  O13  1  0.765  0.506  0.041  1.0
  O  O14  1  0.472  0.176  0.075  1.0
  O  O15  1  0.735  0.506  0.541  1.0
  O  O16  1  0.270  0.121  0.726  1.0
  O  O17  1  0.972  0.824  0.425  1.0
  O  O18  1  0.230  0.121  0.226  1.0
  O  O19  1  0.028  0.176  0.575  1.0
  O  O20  1  0.224  0.964  0.034  1.0
  O  O21  1  0.235  0.494  0.959  1.0
  O  O22  1  0.730  0.879  0.274  1.0
  O  O23  1  0.265  0.494  0.459  1.0
  O  O24  1  0.724  0.036  0.466  1.0
  O  O25  1  0.528  0.824  0.925  1.0
  O  O26  1  0.776  0.036  0.966  1.0
  O  O27  1  0.276  0.964  0.534  1.0
[/CIF]
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The compound described by CsLiCrO4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a linear geometry to three equivalent Cs(1), one Li(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Li(1), and one Cr(1) atom. is represented by the CIF file [CIF]
data_CsLiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.139
_cell_length_b   5.730
_cell_length_c   11.395
_cell_angle_alpha   60.440
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.016
_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
  Cs  Cs0  1  0.998  0.453  0.780  1.0
  Cs  Cs1  1  0.502  0.453  0.280  1.0
  Cs  Cs2  1  0.002  0.547  0.220  1.0
  Cs  Cs3  1  0.498  0.547  0.720  1.0
  Li  Li4  1  0.313  0.849  0.913  1.0
  Li  Li5  1  0.687  0.151  0.087  1.0
  Li  Li6  1  0.813  0.151  0.587  1.0
  Li  Li7  1  0.187  0.849  0.413  1.0
  Cr  Cr8  1  0.291  0.187  0.074  1.0
  Cr  Cr9  1  0.709  0.813  0.926  1.0
  Cr  Cr10  1  0.209  0.187  0.574  1.0
  Cr  Cr11  1  0.791  0.813  0.426  1.0
  O  O12  1  0.770  0.879  0.774  1.0
  O  O13  1  0.765  0.506  0.041  1.0
  O  O14  1  0.472  0.176  0.075  1.0
  O  O15  1  0.735  0.506  0.541  1.0
  O  O16  1  0.270  0.121  0.726  1.0
  O  O17  1  0.972  0.824  0.425  1.0
  O  O18  1  0.230  0.121  0.226  1.0
  O  O19  1  0.028  0.176  0.575  1.0
  O  O20  1  0.224  0.964  0.034  1.0
  O  O21  1  0.235  0.494  0.959  1.0
  O  O22  1  0.730  0.879  0.274  1.0
  O  O23  1  0.265  0.494  0.459  1.0
  O  O24  1  0.724  0.036  0.466  1.0
  O  O25  1  0.528  0.824  0.925  1.0
  O  O26  1  0.776  0.036  0.966  1.0
  O  O27  1  0.276  0.964  0.534  1.0
[/CIF]
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