The material described by BaMg(BiO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with twelve equivalent Bi(1)O4 trigonal pyramids. Bi(1) is bonded to one O(2) and three equivalent O(1) atoms to form BiO4 trigonal pyramids that share corners with three equivalent Mg(1)O6 octahedra and corners with four equivalent Bi(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Mg(1), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBaMgBi2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_BaMg(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.257
_cell_length_b   6.257
_cell_length_c   7.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   252.868
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Bi  Bi2  1  0.333  0.667  0.717  1.0
  Bi  Bi3  1  0.667  0.333  0.717  1.0
  Bi  Bi4  1  0.333  0.667  0.283  1.0
  Bi  Bi5  1  0.667  0.333  0.283  1.0
  O  O6  1  0.277  0.277  0.691  1.0
  O  O7  1  0.723  0.000  0.691  1.0
  O  O8  1  0.000  0.723  0.691  1.0
  O  O9  1  0.723  0.723  0.309  1.0
  O  O10  1  0.000  0.277  0.309  1.0
  O  O11  1  0.277  0.000  0.309  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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The material described by BaMg(BiO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with twelve equivalent Bi(1)O4 trigonal pyramids. Bi(1) is bonded to one O(2) and three equivalent O(1) atoms to form BiO4 trigonal pyramids that share corners with three equivalent Mg(1)O6 octahedra and corners with four equivalent Bi(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Mg(1), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBaMgBi2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_BaMg(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.257
_cell_length_b   6.257
_cell_length_c   7.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   252.868
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Bi  Bi2  1  0.333  0.667  0.717  1.0
  Bi  Bi3  1  0.667  0.333  0.717  1.0
  Bi  Bi4  1  0.333  0.667  0.283  1.0
  Bi  Bi5  1  0.667  0.333  0.283  1.0
  O  O6  1  0.277  0.277  0.691  1.0
  O  O7  1  0.723  0.000  0.691  1.0
  O  O8  1  0.000  0.723  0.691  1.0
  O  O9  1  0.723  0.723  0.309  1.0
  O  O10  1  0.000  0.277  0.309  1.0
  O  O11  1  0.277  0.000  0.309  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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