The crystal structure 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(1), two equivalent O(4), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a distorted octahedral geometry to one O(3), 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 to one Ba(1), one Ba(2), one Bi(1), and one Bi(2) atom to form distorted edge-sharing OBa2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Bi(1), and one Bi(2) 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 CIF card [CIF]
data_Ba2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.196
_cell_length_b   6.196
_cell_length_c   7.511
_cell_angle_alpha   64.562
_cell_angle_beta   64.562
_cell_angle_gamma   61.342
_symmetry_Int_Tables_number   1
_cell_volume   219.208
_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  0.277  0.277  0.199  1.0
  Ba  Ba1  1  0.703  0.703  0.957  1.0
  Mg  Mg2  1  0.909  0.909  0.327  1.0
  Bi  Bi3  1  0.062  0.062  0.848  1.0
  Bi  Bi4  1  0.503  0.503  0.497  1.0
  O  O5  1  0.182  0.688  0.832  1.0
  O  O6  1  0.277  0.780  0.271  1.0
  O  O7  1  0.688  0.182  0.832  1.0
  O  O8  1  0.249  0.249  0.558  1.0
  O  O9  1  0.780  0.277  0.271  1.0
  O  O10  1  0.745  0.745  0.293  1.0
[/CIF]
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The crystal structure 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(1), two equivalent O(4), and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a distorted octahedral geometry to one O(3), 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 to one Ba(1), one Ba(2), one Bi(1), and one Bi(2) atom to form distorted edge-sharing OBa2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Bi(1), and one Bi(2) 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 CIF card [CIF]
data_Ba2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.196
_cell_length_b   6.196
_cell_length_c   7.511
_cell_angle_alpha   64.562
_cell_angle_beta   64.562
_cell_angle_gamma   61.342
_symmetry_Int_Tables_number   1
_cell_volume   219.208
_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  0.277  0.277  0.199  1.0
  Ba  Ba1  1  0.703  0.703  0.957  1.0
  Mg  Mg2  1  0.909  0.909  0.327  1.0
  Bi  Bi3  1  0.062  0.062  0.848  1.0
  Bi  Bi4  1  0.503  0.503  0.497  1.0
  O  O5  1  0.182  0.688  0.832  1.0
  O  O6  1  0.277  0.780  0.271  1.0
  O  O7  1  0.688  0.182  0.832  1.0
  O  O8  1  0.249  0.249  0.558  1.0
  O  O9  1  0.780  0.277  0.271  1.0
  O  O10  1  0.745  0.745  0.293  1.0
[/CIF]
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