The material structure described by Na2Mg(BiO3)2 crystallizes in the trigonal R3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with six equivalent Bi(2)O6 octahedra, and  a faceface with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-54°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Mg(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing ONa2MgBi2 trigonal bipyramids. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Mg(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing ONa2MgBi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Na2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.196
_cell_length_b   6.196
_cell_length_c   6.196
_cell_angle_alpha   55.094
_cell_angle_beta   55.094
_cell_angle_gamma   55.094
_symmetry_Int_Tables_number   1
_cell_volume   149.036
_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
  Na  Na0  1  0.007  0.007  0.007  1.0
  Na  Na1  1  0.858  0.858  0.858  1.0
  Mg  Mg2  1  0.183  0.183  0.183  1.0
  Bi  Bi3  1  0.388  0.388  0.388  1.0
  Bi  Bi4  1  0.673  0.673  0.673  1.0
  O  O5  1  0.025  0.826  0.434  1.0
  O  O6  1  0.826  0.434  0.025  1.0
  O  O7  1  0.434  0.025  0.826  1.0
  O  O8  1  0.970  0.314  0.541  1.0
  O  O9  1  0.541  0.970  0.314  1.0
  O  O10  1  0.314  0.541  0.970  1.0
[/CIF]
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The material structure described by Na2Mg(BiO3)2 crystallizes in the trigonal R3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with six equivalent Bi(2)O6 octahedra, and  a faceface with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-54°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Mg(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing ONa2MgBi2 trigonal bipyramids. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Mg(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing ONa2MgBi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Na2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.196
_cell_length_b   6.196
_cell_length_c   6.196
_cell_angle_alpha   55.094
_cell_angle_beta   55.094
_cell_angle_gamma   55.094
_symmetry_Int_Tables_number   1
_cell_volume   149.036
_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
  Na  Na0  1  0.007  0.007  0.007  1.0
  Na  Na1  1  0.858  0.858  0.858  1.0
  Mg  Mg2  1  0.183  0.183  0.183  1.0
  Bi  Bi3  1  0.388  0.388  0.388  1.0
  Bi  Bi4  1  0.673  0.673  0.673  1.0
  O  O5  1  0.025  0.826  0.434  1.0
  O  O6  1  0.826  0.434  0.025  1.0
  O  O7  1  0.434  0.025  0.826  1.0
  O  O8  1  0.970  0.314  0.541  1.0
  O  O9  1  0.541  0.970  0.314  1.0
  O  O10  1  0.314  0.541  0.970  1.0
[/CIF]
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