The compound described by BaCrO4 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), 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 distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Ba(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_BaCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.501
_cell_length_b   7.926
_cell_length_c   7.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.281
_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
  Ba  Ba0  1  0.223  0.141  0.591  1.0
  Ba  Ba1  1  0.777  0.359  0.091  1.0
  Ba  Ba2  1  0.277  0.641  0.409  1.0
  Ba  Ba3  1  0.723  0.859  0.909  1.0
  Cr  Cr4  1  0.250  0.105  0.088  1.0
  Cr  Cr5  1  0.750  0.395  0.588  1.0
  Cr  Cr6  1  0.250  0.605  0.912  1.0
  Cr  Cr7  1  0.750  0.895  0.412  1.0
  O  O8  1  0.284  0.948  0.235  1.0
  O  O9  1  0.716  0.552  0.735  1.0
  O  O10  1  0.216  0.448  0.765  1.0
  O  O11  1  0.784  0.052  0.265  1.0
  O  O12  1  0.201  0.275  0.211  1.0
  O  O13  1  0.799  0.225  0.711  1.0
  O  O14  1  0.299  0.775  0.789  1.0
  O  O15  1  0.701  0.725  0.289  1.0
  O  O16  1  0.555  0.930  0.555  1.0
  O  O17  1  0.445  0.570  0.055  1.0
  O  O18  1  0.945  0.430  0.445  1.0
  O  O19  1  0.055  0.070  0.945  1.0
  O  O20  1  0.459  0.133  0.957  1.0
  O  O21  1  0.541  0.367  0.457  1.0
  O  O22  1  0.041  0.633  0.043  1.0
  O  O23  1  0.959  0.867  0.543  1.0
[/CIF]
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The compound described by BaCrO4 crystallizes in the orthorhombic P2_12_12_1 space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), 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 distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Ba(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_BaCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.501
_cell_length_b   7.926
_cell_length_c   7.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.281
_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
  Ba  Ba0  1  0.223  0.141  0.591  1.0
  Ba  Ba1  1  0.777  0.359  0.091  1.0
  Ba  Ba2  1  0.277  0.641  0.409  1.0
  Ba  Ba3  1  0.723  0.859  0.909  1.0
  Cr  Cr4  1  0.250  0.105  0.088  1.0
  Cr  Cr5  1  0.750  0.395  0.588  1.0
  Cr  Cr6  1  0.250  0.605  0.912  1.0
  Cr  Cr7  1  0.750  0.895  0.412  1.0
  O  O8  1  0.284  0.948  0.235  1.0
  O  O9  1  0.716  0.552  0.735  1.0
  O  O10  1  0.216  0.448  0.765  1.0
  O  O11  1  0.784  0.052  0.265  1.0
  O  O12  1  0.201  0.275  0.211  1.0
  O  O13  1  0.799  0.225  0.711  1.0
  O  O14  1  0.299  0.775  0.789  1.0
  O  O15  1  0.701  0.725  0.289  1.0
  O  O16  1  0.555  0.930  0.555  1.0
  O  O17  1  0.445  0.570  0.055  1.0
  O  O18  1  0.945  0.430  0.445  1.0
  O  O19  1  0.055  0.070  0.945  1.0
  O  O20  1  0.459  0.133  0.957  1.0
  O  O21  1  0.541  0.367  0.457  1.0
  O  O22  1  0.041  0.633  0.043  1.0
  O  O23  1  0.959  0.867  0.543  1.0
[/CIF]
.