The structure described by Ba2CrO4 crystallizes in the orthorhombic Pna2_1 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(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), 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), 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), two 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. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), three equivalent Ba(2), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Ba2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.017
_cell_length_b   7.732
_cell_length_c   10.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.940
_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  0.243  0.997  0.196  1.0
  Ba  Ba1  1  0.743  0.003  0.804  1.0
  Ba  Ba2  1  0.743  0.503  0.696  1.0
  Ba  Ba3  1  0.243  0.497  0.304  1.0
  Ba  Ba4  1  0.239  0.651  0.931  1.0
  Ba  Ba5  1  0.739  0.349  0.069  1.0
  Ba  Ba6  1  0.239  0.151  0.569  1.0
  Ba  Ba7  1  0.739  0.849  0.431  1.0
  Cr  Cr8  1  0.238  0.218  0.921  1.0
  Cr  Cr9  1  0.738  0.782  0.079  1.0
  Cr  Cr10  1  0.238  0.718  0.579  1.0
  Cr  Cr11  1  0.738  0.282  0.421  1.0
  O  O12  1  0.484  0.802  0.652  1.0
  O  O13  1  0.984  0.698  0.152  1.0
  O  O14  1  0.484  0.302  0.848  1.0
  O  O15  1  0.984  0.198  0.348  1.0
  O  O16  1  0.492  0.189  0.353  1.0
  O  O17  1  0.992  0.811  0.647  1.0
  O  O18  1  0.492  0.689  0.147  1.0
  O  O19  1  0.992  0.311  0.853  1.0
  O  O20  1  0.722  0.512  0.423  1.0
  O  O21  1  0.222  0.988  0.923  1.0
  O  O22  1  0.222  0.488  0.577  1.0
  O  O23  1  0.722  0.012  0.077  1.0
  O  O24  1  0.741  0.686  0.923  1.0
  O  O25  1  0.241  0.314  0.077  1.0
  O  O26  1  0.241  0.814  0.423  1.0
  O  O27  1  0.741  0.186  0.577  1.0
[/CIF]
.
The structure described by Ba2CrO4 crystallizes in the orthorhombic Pna2_1 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(1), two equivalent O(2), two equivalent O(4), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), 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), 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), two 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. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), three equivalent Ba(2), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Ba2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.017
_cell_length_b   7.732
_cell_length_c   10.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.940
_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  0.243  0.997  0.196  1.0
  Ba  Ba1  1  0.743  0.003  0.804  1.0
  Ba  Ba2  1  0.743  0.503  0.696  1.0
  Ba  Ba3  1  0.243  0.497  0.304  1.0
  Ba  Ba4  1  0.239  0.651  0.931  1.0
  Ba  Ba5  1  0.739  0.349  0.069  1.0
  Ba  Ba6  1  0.239  0.151  0.569  1.0
  Ba  Ba7  1  0.739  0.849  0.431  1.0
  Cr  Cr8  1  0.238  0.218  0.921  1.0
  Cr  Cr9  1  0.738  0.782  0.079  1.0
  Cr  Cr10  1  0.238  0.718  0.579  1.0
  Cr  Cr11  1  0.738  0.282  0.421  1.0
  O  O12  1  0.484  0.802  0.652  1.0
  O  O13  1  0.984  0.698  0.152  1.0
  O  O14  1  0.484  0.302  0.848  1.0
  O  O15  1  0.984  0.198  0.348  1.0
  O  O16  1  0.492  0.189  0.353  1.0
  O  O17  1  0.992  0.811  0.647  1.0
  O  O18  1  0.492  0.689  0.147  1.0
  O  O19  1  0.992  0.311  0.853  1.0
  O  O20  1  0.722  0.512  0.423  1.0
  O  O21  1  0.222  0.988  0.923  1.0
  O  O22  1  0.222  0.488  0.577  1.0
  O  O23  1  0.722  0.012  0.077  1.0
  O  O24  1  0.741  0.686  0.923  1.0
  O  O25  1  0.241  0.314  0.077  1.0
  O  O26  1  0.241  0.814  0.423  1.0
  O  O27  1  0.741  0.186  0.577  1.0
[/CIF]
.