The compound described by Na4Mg(BiO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. In the third Na site, Na(3) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 15-71°. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing NaO6 octahedra. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal bipyramidal geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(4), one Mg(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Mg(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(4), one Mg(1), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Mg(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Na4Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.349
_cell_length_b   6.420
_cell_length_c   6.012
_cell_angle_alpha   82.049
_cell_angle_beta   99.382
_cell_angle_gamma   59.924
_symmetry_Int_Tables_number   1
_cell_volume   202.151
_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  0.024  0.190  0.482  1.0
  Na  Na1  1  0.974  0.731  0.511  1.0
  Na  Na2  1  0.469  0.639  0.440  1.0
  Na  Na3  1  0.995  0.010  0.996  1.0
  Mg  Mg4  1  0.490  0.156  0.469  1.0
  Bi  Bi5  1  0.651  0.675  0.951  1.0
  Bi  Bi6  1  0.339  0.324  0.006  1.0
  O  O7  1  0.288  0.780  0.751  1.0
  O  O8  1  0.206  0.503  0.292  1.0
  O  O9  1  0.343  0.027  0.236  1.0
  O  O10  1  0.859  0.470  0.728  1.0
  O  O11  1  0.634  0.008  0.798  1.0
  O  O12  1  0.707  0.173  0.268  1.0
[/CIF]
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The compound described by Na4Mg(BiO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. In the third Na site, Na(3) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 15-71°. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing NaO6 octahedra. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal bipyramidal geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(4), one Mg(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Mg(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(4), one Mg(1), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Mg(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Na4Mg(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.349
_cell_length_b   6.420
_cell_length_c   6.012
_cell_angle_alpha   82.049
_cell_angle_beta   99.382
_cell_angle_gamma   59.924
_symmetry_Int_Tables_number   1
_cell_volume   202.151
_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  0.024  0.190  0.482  1.0
  Na  Na1  1  0.974  0.731  0.511  1.0
  Na  Na2  1  0.469  0.639  0.440  1.0
  Na  Na3  1  0.995  0.010  0.996  1.0
  Mg  Mg4  1  0.490  0.156  0.469  1.0
  Bi  Bi5  1  0.651  0.675  0.951  1.0
  Bi  Bi6  1  0.339  0.324  0.006  1.0
  O  O7  1  0.288  0.780  0.751  1.0
  O  O8  1  0.206  0.503  0.292  1.0
  O  O9  1  0.343  0.027  0.236  1.0
  O  O10  1  0.859  0.470  0.728  1.0
  O  O11  1  0.634  0.008  0.798  1.0
  O  O12  1  0.707  0.173  0.268  1.0
[/CIF]
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