The structure described by MgBaBi2O5 crystallizes in the tetragonal P4/mmm space group. The structure consists of one 7439-95-4 atom inside a BaBi2O5 framework. In the BaBi2O5 framework, Ba(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Bi(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Bi2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMgBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.303
_cell_length_b   4.303
_cell_length_c   9.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.968
_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  0.000  0.000  0.000  1.0
  Bi  Bi2  1  0.500  0.500  0.241  1.0
  Bi  Bi3  1  0.500  0.500  0.759  1.0
  O  O4  1  0.000  0.500  0.311  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.311  1.0
  O  O7  1  0.500  0.000  0.689  1.0
  O  O8  1  0.000  0.500  0.689  1.0
[/CIF]
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The structure described by MgBaBi2O5 crystallizes in the tetragonal P4/mmm space group. The structure consists of one 7439-95-4 atom inside a BaBi2O5 framework. In the BaBi2O5 framework, Ba(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Bi(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Bi2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMgBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.303
_cell_length_b   4.303
_cell_length_c   9.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.968
_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  0.000  0.000  0.000  1.0
  Bi  Bi2  1  0.500  0.500  0.241  1.0
  Bi  Bi3  1  0.500  0.500  0.759  1.0
  O  O4  1  0.000  0.500  0.311  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.311  1.0
  O  O7  1  0.500  0.000  0.689  1.0
  O  O8  1  0.000  0.500  0.689  1.0
[/CIF]
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