The crystal structure described by Ba2FeO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded in a distorted 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 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.136
_cell_length_b   7.707
_cell_length_c   10.113
_cell_angle_alpha   90.000
_cell_angle_beta   93.560
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.328
_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  0.756  0.849  0.082  1.0
  Ba  Ba1  1  0.744  0.349  0.418  1.0
  Ba  Ba2  1  0.244  0.151  0.918  1.0
  Ba  Ba3  1  0.256  0.651  0.582  1.0
  Ba  Ba4  1  0.224  0.506  0.194  1.0
  Ba  Ba5  1  0.276  0.006  0.306  1.0
  Ba  Ba6  1  0.776  0.494  0.806  1.0
  Ba  Ba7  1  0.724  0.994  0.694  1.0
  Fe  Fe8  1  0.257  0.724  0.917  1.0
  Fe  Fe9  1  0.243  0.224  0.583  1.0
  Fe  Fe10  1  0.743  0.276  0.083  1.0
  Fe  Fe11  1  0.757  0.776  0.417  1.0
  O  O12  1  0.714  0.002  0.396  1.0
  O  O13  1  0.786  0.502  0.104  1.0
  O  O14  1  0.286  0.998  0.604  1.0
  O  O15  1  0.214  0.498  0.896  1.0
  O  O16  1  0.495  0.238  0.160  1.0
  O  O17  1  0.005  0.738  0.340  1.0
  O  O18  1  0.505  0.762  0.840  1.0
  O  O19  1  0.995  0.262  0.660  1.0
  O  O20  1  0.003  0.188  0.133  1.0
  O  O21  1  0.497  0.688  0.367  1.0
  O  O22  1  0.997  0.812  0.867  1.0
  O  O23  1  0.503  0.312  0.633  1.0
  O  O24  1  0.691  0.163  0.929  1.0
  O  O25  1  0.809  0.663  0.571  1.0
  O  O26  1  0.309  0.837  0.071  1.0
  O  O27  1  0.191  0.337  0.429  1.0
[/CIF]
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The crystal structure described by Ba2FeO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded in a distorted 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 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.136
_cell_length_b   7.707
_cell_length_c   10.113
_cell_angle_alpha   90.000
_cell_angle_beta   93.560
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   477.328
_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  0.756  0.849  0.082  1.0
  Ba  Ba1  1  0.744  0.349  0.418  1.0
  Ba  Ba2  1  0.244  0.151  0.918  1.0
  Ba  Ba3  1  0.256  0.651  0.582  1.0
  Ba  Ba4  1  0.224  0.506  0.194  1.0
  Ba  Ba5  1  0.276  0.006  0.306  1.0
  Ba  Ba6  1  0.776  0.494  0.806  1.0
  Ba  Ba7  1  0.724  0.994  0.694  1.0
  Fe  Fe8  1  0.257  0.724  0.917  1.0
  Fe  Fe9  1  0.243  0.224  0.583  1.0
  Fe  Fe10  1  0.743  0.276  0.083  1.0
  Fe  Fe11  1  0.757  0.776  0.417  1.0
  O  O12  1  0.714  0.002  0.396  1.0
  O  O13  1  0.786  0.502  0.104  1.0
  O  O14  1  0.286  0.998  0.604  1.0
  O  O15  1  0.214  0.498  0.896  1.0
  O  O16  1  0.495  0.238  0.160  1.0
  O  O17  1  0.005  0.738  0.340  1.0
  O  O18  1  0.505  0.762  0.840  1.0
  O  O19  1  0.995  0.262  0.660  1.0
  O  O20  1  0.003  0.188  0.133  1.0
  O  O21  1  0.497  0.688  0.367  1.0
  O  O22  1  0.997  0.812  0.867  1.0
  O  O23  1  0.503  0.312  0.633  1.0
  O  O24  1  0.691  0.163  0.929  1.0
  O  O25  1  0.809  0.663  0.571  1.0
  O  O26  1  0.309  0.837  0.071  1.0
  O  O27  1  0.191  0.337  0.429  1.0
[/CIF]
.