The compound described by Ba2Mg(BiO3)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a distorted trigonal bipyramidal geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.115
_cell_length_c   7.484
_cell_angle_alpha   65.646
_cell_angle_beta   66.043
_cell_angle_gamma   60.201
_symmetry_Int_Tables_number   1
_cell_volume   212.628
_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  0.795  0.676  0.734  1.0
  Ba  Ba1  1  0.345  0.264  0.045  1.0
  Mg  Mg2  1  0.183  0.034  0.600  1.0
  Bi  Bi3  1  0.933  0.957  0.178  1.0
  Bi  Bi4  1  0.513  0.456  0.517  1.0
  O  O5  1  0.790  0.220  0.707  1.0
  O  O6  1  0.585  0.919  0.384  1.0
  O  O7  1  0.112  0.919  0.384  1.0
  O  O8  1  0.283  0.220  0.707  1.0
  O  O9  1  0.766  0.365  0.103  1.0
  O  O10  1  0.289  0.668  0.755  1.0
[/CIF]
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The compound described by Ba2Mg(BiO3)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a distorted trigonal bipyramidal geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.078
_cell_length_b   6.115
_cell_length_c   7.484
_cell_angle_alpha   65.646
_cell_angle_beta   66.043
_cell_angle_gamma   60.201
_symmetry_Int_Tables_number   1
_cell_volume   212.628
_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  0.795  0.676  0.734  1.0
  Ba  Ba1  1  0.345  0.264  0.045  1.0
  Mg  Mg2  1  0.183  0.034  0.600  1.0
  Bi  Bi3  1  0.933  0.957  0.178  1.0
  Bi  Bi4  1  0.513  0.456  0.517  1.0
  O  O5  1  0.790  0.220  0.707  1.0
  O  O6  1  0.585  0.919  0.384  1.0
  O  O7  1  0.112  0.919  0.384  1.0
  O  O8  1  0.283  0.220  0.707  1.0
  O  O9  1  0.766  0.365  0.103  1.0
  O  O10  1  0.289  0.668  0.755  1.0
[/CIF]
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