The structure described by Ba4Mg(BiO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Mg(1)O6 octahedra, and faces with six equivalent Bi(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Mg(1), and one Bi(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and face-sharing OBa4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_Ba4Mg(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.481
_cell_length_b   7.481
_cell_length_c   7.481
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   322.263
_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  0.500  0.000  1.0
  Ba  Ba1  1  0.500  0.000  0.000  1.0
  Ba  Ba2  1  0.500  0.500  0.500  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Bi  Bi5  1  0.500  0.000  0.500  1.0
  Bi  Bi6  1  0.500  0.500  0.000  1.0
  Bi  Bi7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.747  0.747  0.000  1.0
  O  O9  1  0.250  0.500  0.750  1.0
  O  O10  1  0.253  0.000  0.253  1.0
  O  O11  1  0.500  0.750  0.250  1.0
  O  O12  1  0.750  0.250  0.500  1.0
  O  O13  1  0.750  0.500  0.250  1.0
  O  O14  1  0.000  0.747  0.747  1.0
  O  O15  1  0.000  0.253  0.253  1.0
  O  O16  1  0.253  0.253  0.000  1.0
  O  O17  1  0.250  0.750  0.500  1.0
  O  O18  1  0.500  0.250  0.750  1.0
  O  O19  1  0.747  0.000  0.747  1.0
[/CIF]
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The structure described by Ba4Mg(BiO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Mg(1)O6 octahedra, and faces with six equivalent Bi(1)O6 octahedra. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Bi(1)O6 octahedra, and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Mg(1), and one Bi(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and face-sharing OBa4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_Ba4Mg(BiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.481
_cell_length_b   7.481
_cell_length_c   7.481
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   322.263
_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  0.500  0.000  1.0
  Ba  Ba1  1  0.500  0.000  0.000  1.0
  Ba  Ba2  1  0.500  0.500  0.500  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Bi  Bi5  1  0.500  0.000  0.500  1.0
  Bi  Bi6  1  0.500  0.500  0.000  1.0
  Bi  Bi7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.747  0.747  0.000  1.0
  O  O9  1  0.250  0.500  0.750  1.0
  O  O10  1  0.253  0.000  0.253  1.0
  O  O11  1  0.500  0.750  0.250  1.0
  O  O12  1  0.750  0.250  0.500  1.0
  O  O13  1  0.750  0.500  0.250  1.0
  O  O14  1  0.000  0.747  0.747  1.0
  O  O15  1  0.000  0.253  0.253  1.0
  O  O16  1  0.253  0.253  0.000  1.0
  O  O17  1  0.250  0.750  0.500  1.0
  O  O18  1  0.500  0.250  0.750  1.0
  O  O19  1  0.747  0.000  0.747  1.0
[/CIF]
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