The structure described by Na3MgBiO4 crystallizes in the monoclinic Pm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra and corners with four equivalent Mg(1)O4 tetrahedra. In the third Na site, Na(3) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(2) atoms. Mg(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with four equivalent Na(2)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), one Mg(1), and two equivalent Bi(1) atoms to form ONa2MgBi2 trigonal bipyramids that share corners with two equivalent O(2)Na5Bi octahedra, corners with two equivalent O(1)Na2MgBi2 trigonal bipyramids, and edges with two equivalent O(2)Na5Bi octahedra. The corner-sharing octahedral tilt angles are 49°. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), two equivalent Na(3), and one Bi(1) atom to form ONa5Bi octahedra that share corners with two equivalent O(1)Na2MgBi2 trigonal bipyramids, edges with two equivalent O(2)Na5Bi octahedra, and edges with two equivalent O(1)Na2MgBi2 trigonal bipyramids. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(2) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Na3MgBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   3.512
_cell_length_c   6.839
_cell_angle_alpha   90.000
_cell_angle_beta   87.626
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.734
_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  0.442  0.000  0.601  1.0
  Na  Na1  1  0.127  0.500  0.397  1.0
  Na  Na2  1  0.967  0.000  0.793  1.0
  Mg  Mg3  1  0.693  0.000  0.223  1.0
  Bi  Bi4  1  0.392  0.500  0.006  1.0
  O  O5  1  0.623  0.000  0.916  1.0
  O  O6  1  0.209  0.500  0.733  1.0
  O  O7  1  0.360  0.000  0.266  1.0
  O  O8  1  0.791  0.500  0.295  1.0
[/CIF]
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The structure described by Na3MgBiO4 crystallizes in the monoclinic Pm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra and corners with four equivalent Mg(1)O4 tetrahedra. In the third Na site, Na(3) is bonded in a distorted trigonal planar geometry to one O(1) and two equivalent O(2) atoms. Mg(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with four equivalent Na(2)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), one Mg(1), and two equivalent Bi(1) atoms to form ONa2MgBi2 trigonal bipyramids that share corners with two equivalent O(2)Na5Bi octahedra, corners with two equivalent O(1)Na2MgBi2 trigonal bipyramids, and edges with two equivalent O(2)Na5Bi octahedra. The corner-sharing octahedral tilt angles are 49°. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), two equivalent Na(3), and one Bi(1) atom to form ONa5Bi octahedra that share corners with two equivalent O(1)Na2MgBi2 trigonal bipyramids, edges with two equivalent O(2)Na5Bi octahedra, and edges with two equivalent O(1)Na2MgBi2 trigonal bipyramids. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(2) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Na3MgBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   3.512
_cell_length_c   6.839
_cell_angle_alpha   90.000
_cell_angle_beta   87.626
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.734
_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  0.442  0.000  0.601  1.0
  Na  Na1  1  0.127  0.500  0.397  1.0
  Na  Na2  1  0.967  0.000  0.793  1.0
  Mg  Mg3  1  0.693  0.000  0.223  1.0
  Bi  Bi4  1  0.392  0.500  0.006  1.0
  O  O5  1  0.623  0.000  0.916  1.0
  O  O6  1  0.209  0.500  0.733  1.0
  O  O7  1  0.360  0.000  0.266  1.0
  O  O8  1  0.791  0.500  0.295  1.0
[/CIF]
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