The material structure described by Ba2CrO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), three equivalent Ba(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), three equivalent Ba(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Ba2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   7.682
_cell_length_c   10.546
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.530
_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  0.250  0.994  0.695  1.0
  Ba  Ba1  1  0.750  0.506  0.195  1.0
  Ba  Ba2  1  0.250  0.494  0.805  1.0
  Ba  Ba3  1  0.750  0.006  0.305  1.0
  Ba  Ba4  1  0.250  0.650  0.425  1.0
  Ba  Ba5  1  0.750  0.350  0.575  1.0
  Ba  Ba6  1  0.250  0.150  0.075  1.0
  Ba  Ba7  1  0.750  0.850  0.925  1.0
  Cr  Cr8  1  0.250  0.720  0.079  1.0
  Cr  Cr9  1  0.750  0.280  0.921  1.0
  Cr  Cr10  1  0.250  0.220  0.421  1.0
  Cr  Cr11  1  0.750  0.780  0.579  1.0
  O  O12  1  0.995  0.191  0.851  1.0
  O  O13  1  0.495  0.809  0.149  1.0
  O  O14  1  0.505  0.691  0.649  1.0
  O  O15  1  0.005  0.309  0.351  1.0
  O  O16  1  0.005  0.809  0.149  1.0
  O  O17  1  0.505  0.191  0.851  1.0
  O  O18  1  0.495  0.309  0.351  1.0
  O  O19  1  0.995  0.691  0.649  1.0
  O  O20  1  0.250  0.813  0.922  1.0
  O  O21  1  0.750  0.187  0.078  1.0
  O  O22  1  0.250  0.313  0.578  1.0
  O  O23  1  0.750  0.687  0.422  1.0
  O  O24  1  0.750  0.009  0.581  1.0
  O  O25  1  0.250  0.991  0.419  1.0
  O  O26  1  0.250  0.491  0.081  1.0
  O  O27  1  0.750  0.509  0.919  1.0
[/CIF]
.
The material structure described by Ba2CrO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), three equivalent Ba(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(2), three equivalent Ba(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Ba2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.919
_cell_length_b   7.682
_cell_length_c   10.546
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.530
_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  0.250  0.994  0.695  1.0
  Ba  Ba1  1  0.750  0.506  0.195  1.0
  Ba  Ba2  1  0.250  0.494  0.805  1.0
  Ba  Ba3  1  0.750  0.006  0.305  1.0
  Ba  Ba4  1  0.250  0.650  0.425  1.0
  Ba  Ba5  1  0.750  0.350  0.575  1.0
  Ba  Ba6  1  0.250  0.150  0.075  1.0
  Ba  Ba7  1  0.750  0.850  0.925  1.0
  Cr  Cr8  1  0.250  0.720  0.079  1.0
  Cr  Cr9  1  0.750  0.280  0.921  1.0
  Cr  Cr10  1  0.250  0.220  0.421  1.0
  Cr  Cr11  1  0.750  0.780  0.579  1.0
  O  O12  1  0.995  0.191  0.851  1.0
  O  O13  1  0.495  0.809  0.149  1.0
  O  O14  1  0.505  0.691  0.649  1.0
  O  O15  1  0.005  0.309  0.351  1.0
  O  O16  1  0.005  0.809  0.149  1.0
  O  O17  1  0.505  0.191  0.851  1.0
  O  O18  1  0.495  0.309  0.351  1.0
  O  O19  1  0.995  0.691  0.649  1.0
  O  O20  1  0.250  0.813  0.922  1.0
  O  O21  1  0.750  0.187  0.078  1.0
  O  O22  1  0.250  0.313  0.578  1.0
  O  O23  1  0.750  0.687  0.422  1.0
  O  O24  1  0.750  0.009  0.581  1.0
  O  O25  1  0.250  0.991  0.419  1.0
  O  O26  1  0.250  0.491  0.081  1.0
  O  O27  1  0.750  0.509  0.919  1.0
[/CIF]
.