The material structure described by NaMgTi2BiO6 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the trigonal R3 space group. Na(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Bi(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. Bi(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the second O site, O(2) is bonded to one Na(1), one Mg(1), one Ti(1), one Ti(2), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing ONaMgTi2Bi trigonal bipyramids. is represented by the CIF card [CIF]
data_NaMgTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.208
_cell_length_b   6.208
_cell_length_c   6.208
_cell_angle_alpha   53.135
_cell_angle_beta   53.135
_cell_angle_gamma   53.135
_symmetry_Int_Tables_number   1
_cell_volume   141.956
_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  0.272  0.272  0.272  1.0
  Mg  Mg1  1  0.646  0.646  0.646  1.0
  Ti  Ti2  1  0.015  0.015  0.015  1.0
  Ti  Ti3  1  0.474  0.474  0.474  1.0
  Bi  Bi4  1  0.822  0.822  0.822  1.0
  O  O5  1  0.186  0.305  0.740  1.0
  O  O6  1  0.305  0.740  0.186  1.0
  O  O7  1  0.740  0.186  0.305  1.0
  O  O8  1  0.244  0.817  0.685  1.0
  O  O9  1  0.685  0.244  0.817  1.0
  O  O10  1  0.817  0.685  0.244  1.0
[/CIF]
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The material structure described by NaMgTi2BiO6 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the trigonal R3 space group. Na(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Mg(1) is bonded in a 3-coordinate geometry to one Bi(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 18-20°. Bi(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the second O site, O(2) is bonded to one Na(1), one Mg(1), one Ti(1), one Ti(2), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing ONaMgTi2Bi trigonal bipyramids. is represented by the CIF card [CIF]
data_NaMgTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.208
_cell_length_b   6.208
_cell_length_c   6.208
_cell_angle_alpha   53.135
_cell_angle_beta   53.135
_cell_angle_gamma   53.135
_symmetry_Int_Tables_number   1
_cell_volume   141.956
_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  0.272  0.272  0.272  1.0
  Mg  Mg1  1  0.646  0.646  0.646  1.0
  Ti  Ti2  1  0.015  0.015  0.015  1.0
  Ti  Ti3  1  0.474  0.474  0.474  1.0
  Bi  Bi4  1  0.822  0.822  0.822  1.0
  O  O5  1  0.186  0.305  0.740  1.0
  O  O6  1  0.305  0.740  0.186  1.0
  O  O7  1  0.740  0.186  0.305  1.0
  O  O8  1  0.244  0.817  0.685  1.0
  O  O9  1  0.685  0.244  0.817  1.0
  O  O10  1  0.817  0.685  0.244  1.0
[/CIF]
.