The material described by Ba2MgO3 crystallizes in the monoclinic C2/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(3), one O(4), two equivalent O(2), and three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(1), and three equivalent O(2) atoms. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing MgO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and one Mg(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), and one Mg(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mg(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Ba2MgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   6.519
_cell_length_c   12.741
_cell_angle_alpha   88.682
_cell_angle_beta   88.682
_cell_angle_gamma   125.194
_symmetry_Int_Tables_number   1
_cell_volume   441.997
_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  0.868  0.652  0.425  1.0
  Ba  Ba1  1  0.969  0.555  0.850  1.0
  Ba  Ba2  1  0.555  0.969  0.350  1.0
  Ba  Ba3  1  0.348  0.132  0.075  1.0
  Ba  Ba4  1  0.652  0.868  0.925  1.0
  Ba  Ba5  1  0.445  0.031  0.650  1.0
  Ba  Ba6  1  0.031  0.445  0.150  1.0
  Ba  Ba7  1  0.132  0.348  0.575  1.0
  Mg  Mg8  1  0.738  0.730  0.666  1.0
  Mg  Mg9  1  0.730  0.738  0.166  1.0
  Mg  Mg10  1  0.270  0.262  0.834  1.0
  Mg  Mg11  1  0.262  0.270  0.334  1.0
  O  O12  1  0.880  0.682  0.038  1.0
  O  O13  1  0.848  0.505  0.633  1.0
  O  O14  1  0.587  0.413  0.250  1.0
  O  O15  1  0.998  0.002  0.250  1.0
  O  O16  1  0.495  0.152  0.867  1.0
  O  O17  1  0.318  0.120  0.462  1.0
  O  O18  1  0.682  0.880  0.538  1.0
  O  O19  1  0.505  0.848  0.133  1.0
  O  O20  1  0.413  0.587  0.750  1.0
  O  O21  1  0.002  0.998  0.750  1.0
  O  O22  1  0.152  0.495  0.367  1.0
  O  O23  1  0.120  0.318  0.962  1.0
[/CIF]
.
The material described by Ba2MgO3 crystallizes in the monoclinic C2/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(3), one O(4), two equivalent O(2), and three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), two equivalent O(1), and three equivalent O(2) atoms. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing MgO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and one Mg(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), and one Mg(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mg(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_Ba2MgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   6.519
_cell_length_c   12.741
_cell_angle_alpha   88.682
_cell_angle_beta   88.682
_cell_angle_gamma   125.194
_symmetry_Int_Tables_number   1
_cell_volume   441.997
_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  0.868  0.652  0.425  1.0
  Ba  Ba1  1  0.969  0.555  0.850  1.0
  Ba  Ba2  1  0.555  0.969  0.350  1.0
  Ba  Ba3  1  0.348  0.132  0.075  1.0
  Ba  Ba4  1  0.652  0.868  0.925  1.0
  Ba  Ba5  1  0.445  0.031  0.650  1.0
  Ba  Ba6  1  0.031  0.445  0.150  1.0
  Ba  Ba7  1  0.132  0.348  0.575  1.0
  Mg  Mg8  1  0.738  0.730  0.666  1.0
  Mg  Mg9  1  0.730  0.738  0.166  1.0
  Mg  Mg10  1  0.270  0.262  0.834  1.0
  Mg  Mg11  1  0.262  0.270  0.334  1.0
  O  O12  1  0.880  0.682  0.038  1.0
  O  O13  1  0.848  0.505  0.633  1.0
  O  O14  1  0.587  0.413  0.250  1.0
  O  O15  1  0.998  0.002  0.250  1.0
  O  O16  1  0.495  0.152  0.867  1.0
  O  O17  1  0.318  0.120  0.462  1.0
  O  O18  1  0.682  0.880  0.538  1.0
  O  O19  1  0.505  0.848  0.133  1.0
  O  O20  1  0.413  0.587  0.750  1.0
  O  O21  1  0.002  0.998  0.750  1.0
  O  O22  1  0.152  0.495  0.367  1.0
  O  O23  1  0.120  0.318  0.962  1.0
[/CIF]
.