The material described by BaMgBi2O5 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Mg(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted hexagonal planar geometry to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_BaMgBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.324
_cell_length_b   4.324
_cell_length_c   9.779
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.794
_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  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Bi  Bi2  1  0.500  0.500  0.218  1.0
  Bi  Bi3  1  0.500  0.500  0.782  1.0
  O  O4  1  0.000  0.500  0.340  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.340  1.0
  O  O7  1  0.500  0.000  0.660  1.0
  O  O8  1  0.000  0.500  0.660  1.0
[/CIF]
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The material described by BaMgBi2O5 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Mg(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted hexagonal planar geometry to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_BaMgBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.324
_cell_length_b   4.324
_cell_length_c   9.779
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.794
_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  0.500  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Bi  Bi2  1  0.500  0.500  0.218  1.0
  Bi  Bi3  1  0.500  0.500  0.782  1.0
  O  O4  1  0.000  0.500  0.340  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.340  1.0
  O  O7  1  0.500  0.000  0.660  1.0
  O  O8  1  0.000  0.500  0.660  1.0
[/CIF]
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