The material structure described by Na4Mg(BiO3)2 crystallizes in the monoclinic Cm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with eight equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. Bi(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with four equivalent Mg(1)O4 tetrahedra and edges with three equivalent Bi(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Na(2), one Na(3), two equivalent Na(1), and two equivalent Bi(1) atoms to form edge-sharing ONa4Bi2 octahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Mg(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Mg(1), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.024
_cell_length_b   6.024
_cell_length_c   6.160
_cell_angle_alpha   79.670
_cell_angle_beta   100.330
_cell_angle_gamma   62.134
_symmetry_Int_Tables_number   1
_cell_volume   185.277
_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  0.278  0.143  0.491  1.0
  Na  Na1  1  0.857  0.722  0.491  1.0
  Na  Na2  1  0.409  0.591  0.451  1.0
  Na  Na3  1  0.983  0.017  0.100  1.0
  Mg  Mg4  1  0.877  0.123  0.635  1.0
  Bi  Bi5  1  0.654  0.680  0.994  1.0
  Bi  Bi6  1  0.320  0.346  0.994  1.0
  O  O7  1  0.210  0.790  0.698  1.0
  O  O8  1  0.067  0.563  0.214  1.0
  O  O9  1  0.437  0.933  0.214  1.0
  O  O10  1  0.943  0.368  0.781  1.0
  O  O11  1  0.632  0.057  0.781  1.0
  O  O12  1  0.707  0.293  0.291  1.0
[/CIF]
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The material structure described by Na4Mg(BiO3)2 crystallizes in the monoclinic Cm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with eight equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. Bi(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with four equivalent Mg(1)O4 tetrahedra and edges with three equivalent Bi(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(2), two equivalent Na(1), one Mg(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Na(2), one Na(3), two equivalent Na(1), and two equivalent Bi(1) atoms to form edge-sharing ONa4Bi2 octahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Mg(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Mg(1), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.024
_cell_length_b   6.024
_cell_length_c   6.160
_cell_angle_alpha   79.670
_cell_angle_beta   100.330
_cell_angle_gamma   62.134
_symmetry_Int_Tables_number   1
_cell_volume   185.277
_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  0.278  0.143  0.491  1.0
  Na  Na1  1  0.857  0.722  0.491  1.0
  Na  Na2  1  0.409  0.591  0.451  1.0
  Na  Na3  1  0.983  0.017  0.100  1.0
  Mg  Mg4  1  0.877  0.123  0.635  1.0
  Bi  Bi5  1  0.654  0.680  0.994  1.0
  Bi  Bi6  1  0.320  0.346  0.994  1.0
  O  O7  1  0.210  0.790  0.698  1.0
  O  O8  1  0.067  0.563  0.214  1.0
  O  O9  1  0.437  0.933  0.214  1.0
  O  O10  1  0.943  0.368  0.781  1.0
  O  O11  1  0.632  0.057  0.781  1.0
  O  O12  1  0.707  0.293  0.291  1.0
[/CIF]
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