The material described by Na2Mg(BiO3)2 crystallizes in the trigonal R-3 space group. Na(1) is bonded to six equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Bi(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Bi(1)O6 octahedra, and faces with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with nine equivalent Na(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and  a faceface with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. O(1) is bonded to two equivalent Na(1), one Mg(1), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing ONa2MgBi2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.623
_cell_length_b   6.623
_cell_length_c   6.623
_cell_angle_alpha   51.043
_cell_angle_beta   51.043
_cell_angle_gamma   51.043
_symmetry_Int_Tables_number   1
_cell_volume   162.017
_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  0.168  0.168  0.168  1.0
  Na  Na1  1  0.832  0.832  0.832  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.352  0.352  0.352  1.0
  Bi  Bi4  1  0.648  0.648  0.648  1.0
  O  O5  1  0.030  0.769  0.400  1.0
  O  O6  1  0.769  0.400  0.030  1.0
  O  O7  1  0.400  0.030  0.769  1.0
  O  O8  1  0.970  0.231  0.600  1.0
  O  O9  1  0.600  0.970  0.231  1.0
  O  O10  1  0.231  0.600  0.970  1.0
[/CIF]
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The material described by Na2Mg(BiO3)2 crystallizes in the trigonal R-3 space group. Na(1) is bonded to six equivalent O(1) atoms to form distorted NaO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Bi(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with six equivalent Bi(1)O6 octahedra, and faces with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Bi(1) is bonded to six equivalent O(1) atoms to form BiO6 octahedra that share corners with nine equivalent Na(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Bi(1)O6 octahedra, and  a faceface with one Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. O(1) is bonded to two equivalent Na(1), one Mg(1), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing ONa2MgBi2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.623
_cell_length_b   6.623
_cell_length_c   6.623
_cell_angle_alpha   51.043
_cell_angle_beta   51.043
_cell_angle_gamma   51.043
_symmetry_Int_Tables_number   1
_cell_volume   162.017
_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  0.168  0.168  0.168  1.0
  Na  Na1  1  0.832  0.832  0.832  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.352  0.352  0.352  1.0
  Bi  Bi4  1  0.648  0.648  0.648  1.0
  O  O5  1  0.030  0.769  0.400  1.0
  O  O6  1  0.769  0.400  0.030  1.0
  O  O7  1  0.400  0.030  0.769  1.0
  O  O8  1  0.970  0.231  0.600  1.0
  O  O9  1  0.600  0.970  0.231  1.0
  O  O10  1  0.231  0.600  0.970  1.0
[/CIF]
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