The crystal 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 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form corner-sharing MgO4 tetrahedra. Bi(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), and two equivalent Bi(1) atoms to form ONa2Bi2 trigonal pyramids that share corners with four equivalent O(4)Na3MgBi trigonal bipyramids and corners with two equivalent O(1)Na2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Na(3), one Mg(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(2), and two equivalent Mg(1) atoms. In the fourth O site, O(4) is bonded to one Na(2), two equivalent Na(1), one Mg(1), and one Bi(1) atom to form ONa3MgBi trigonal bipyramids that share corners with two equivalent O(4)Na3MgBi trigonal bipyramids and corners with four equivalent O(1)Na2Bi2 trigonal pyramids. is represented by the CIF card [CIF]
data_Na3MgBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.341
_cell_length_b   3.401
_cell_length_c   6.774
_cell_angle_alpha   90.000
_cell_angle_beta   82.679
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.874
_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  0.640  0.000  0.561  1.0
  Na  Na1  1  0.948  0.500  0.248  1.0
  Na  Na2  1  0.088  0.000  0.772  1.0
  Mg  Mg3  1  0.296  0.500  0.458  1.0
  Bi  Bi4  1  0.518  0.500  0.014  1.0
  O  O5  1  0.733  0.000  0.908  1.0
  O  O6  1  0.331  0.500  0.746  1.0
  O  O7  1  0.138  0.000  0.400  1.0
  O  O8  1  0.598  0.500  0.331  1.0
[/CIF]
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The crystal 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 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mg(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form corner-sharing MgO4 tetrahedra. Bi(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), and two equivalent Bi(1) atoms to form ONa2Bi2 trigonal pyramids that share corners with four equivalent O(4)Na3MgBi trigonal bipyramids and corners with two equivalent O(1)Na2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Na(3), one Mg(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(3), two equivalent Na(2), and two equivalent Mg(1) atoms. In the fourth O site, O(4) is bonded to one Na(2), two equivalent Na(1), one Mg(1), and one Bi(1) atom to form ONa3MgBi trigonal bipyramids that share corners with two equivalent O(4)Na3MgBi trigonal bipyramids and corners with four equivalent O(1)Na2Bi2 trigonal pyramids. is represented by the CIF card [CIF]
data_Na3MgBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.341
_cell_length_b   3.401
_cell_length_c   6.774
_cell_angle_alpha   90.000
_cell_angle_beta   82.679
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.874
_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  0.640  0.000  0.561  1.0
  Na  Na1  1  0.948  0.500  0.248  1.0
  Na  Na2  1  0.088  0.000  0.772  1.0
  Mg  Mg3  1  0.296  0.500  0.458  1.0
  Bi  Bi4  1  0.518  0.500  0.014  1.0
  O  O5  1  0.733  0.000  0.908  1.0
  O  O6  1  0.331  0.500  0.746  1.0
  O  O7  1  0.138  0.000  0.400  1.0
  O  O8  1  0.598  0.500  0.331  1.0
[/CIF]
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