The compound described by Ba2CoO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. Co(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 Co(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.887
_cell_length_b   7.680
_cell_length_c   10.508
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   475.116
_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  0.852  0.421  1.0
  Ba  Ba1  1  0.750  0.148  0.579  1.0
  Ba  Ba2  1  0.250  0.352  0.079  1.0
  Ba  Ba3  1  0.750  0.648  0.921  1.0
  Ba  Ba4  1  0.250  0.011  0.811  1.0
  Ba  Ba5  1  0.750  0.989  0.189  1.0
  Ba  Ba6  1  0.250  0.511  0.689  1.0
  Ba  Ba7  1  0.750  0.489  0.311  1.0
  Co  Co8  1  0.250  0.275  0.422  1.0
  Co  Co9  1  0.750  0.725  0.578  1.0
  Co  Co10  1  0.250  0.775  0.078  1.0
  Co  Co11  1  0.750  0.225  0.922  1.0
  O  O12  1  0.498  0.684  0.149  1.0
  O  O13  1  0.998  0.316  0.851  1.0
  O  O14  1  0.002  0.184  0.351  1.0
  O  O15  1  0.502  0.816  0.649  1.0
  O  O16  1  0.502  0.316  0.851  1.0
  O  O17  1  0.002  0.684  0.149  1.0
  O  O18  1  0.998  0.816  0.649  1.0
  O  O19  1  0.498  0.184  0.351  1.0
  O  O20  1  0.250  0.189  0.583  1.0
  O  O21  1  0.750  0.811  0.417  1.0
  O  O22  1  0.250  0.689  0.917  1.0
  O  O23  1  0.750  0.311  0.083  1.0
  O  O24  1  0.750  0.993  0.915  1.0
  O  O25  1  0.250  0.007  0.085  1.0
  O  O26  1  0.750  0.493  0.585  1.0
  O  O27  1  0.250  0.507  0.415  1.0
[/CIF]
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The compound described by Ba2CoO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. Co(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 Co(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.887
_cell_length_b   7.680
_cell_length_c   10.508
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   475.116
_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  0.852  0.421  1.0
  Ba  Ba1  1  0.750  0.148  0.579  1.0
  Ba  Ba2  1  0.250  0.352  0.079  1.0
  Ba  Ba3  1  0.750  0.648  0.921  1.0
  Ba  Ba4  1  0.250  0.011  0.811  1.0
  Ba  Ba5  1  0.750  0.989  0.189  1.0
  Ba  Ba6  1  0.250  0.511  0.689  1.0
  Ba  Ba7  1  0.750  0.489  0.311  1.0
  Co  Co8  1  0.250  0.275  0.422  1.0
  Co  Co9  1  0.750  0.725  0.578  1.0
  Co  Co10  1  0.250  0.775  0.078  1.0
  Co  Co11  1  0.750  0.225  0.922  1.0
  O  O12  1  0.498  0.684  0.149  1.0
  O  O13  1  0.998  0.316  0.851  1.0
  O  O14  1  0.002  0.184  0.351  1.0
  O  O15  1  0.502  0.816  0.649  1.0
  O  O16  1  0.502  0.316  0.851  1.0
  O  O17  1  0.002  0.684  0.149  1.0
  O  O18  1  0.998  0.816  0.649  1.0
  O  O19  1  0.498  0.184  0.351  1.0
  O  O20  1  0.250  0.189  0.583  1.0
  O  O21  1  0.750  0.811  0.417  1.0
  O  O22  1  0.250  0.689  0.917  1.0
  O  O23  1  0.750  0.311  0.083  1.0
  O  O24  1  0.750  0.993  0.915  1.0
  O  O25  1  0.250  0.007  0.085  1.0
  O  O26  1  0.750  0.493  0.585  1.0
  O  O27  1  0.250  0.507  0.415  1.0
[/CIF]
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