The structure described by Ba2Mg(BiO3)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share faces with two equivalent Bi(2)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted BiO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa2MgBi2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ba(1), one Mg(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Ba2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.236
_cell_length_b   6.829
_cell_length_c   7.374
_cell_angle_alpha   48.758
_cell_angle_beta   64.983
_cell_angle_gamma   62.832
_symmetry_Int_Tables_number   1
_cell_volume   206.566
_cell_formula_units_Z   1
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  0.786  0.742  0.687  1.0
  Ba  Ba1  1  0.214  0.258  0.313  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  Bi  Bi4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.819  0.120  0.708  1.0
  O  O6  1  0.647  0.880  0.292  1.0
  O  O7  1  0.181  0.880  0.292  1.0
  O  O8  1  0.353  0.120  0.708  1.0
  O  O9  1  0.645  0.581  0.128  1.0
  O  O10  1  0.355  0.419  0.872  1.0
[/CIF]
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The structure described by Ba2Mg(BiO3)2 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share faces with two equivalent Bi(2)O6 octahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted BiO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa2MgBi2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ba(1), one Mg(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Ba2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.236
_cell_length_b   6.829
_cell_length_c   7.374
_cell_angle_alpha   48.758
_cell_angle_beta   64.983
_cell_angle_gamma   62.832
_symmetry_Int_Tables_number   1
_cell_volume   206.566
_cell_formula_units_Z   1
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  0.786  0.742  0.687  1.0
  Ba  Ba1  1  0.214  0.258  0.313  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  Bi  Bi4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.819  0.120  0.708  1.0
  O  O6  1  0.647  0.880  0.292  1.0
  O  O7  1  0.181  0.880  0.292  1.0
  O  O8  1  0.353  0.120  0.708  1.0
  O  O9  1  0.645  0.581  0.128  1.0
  O  O10  1  0.355  0.419  0.872  1.0
[/CIF]
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