The material structure described by NaMgTi2BiO6 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 to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share edges with three equivalent Ti(1)O6 octahedra. 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 TiO6 octahedra that share edges with three equivalent Mg(1)O6 octahedra. In the second Ti site, Ti(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. Bi(1) is bonded in a distorted trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Mg(1), one Ti(1), and one Bi(1) atom to form distorted ONaMgTiBi tetrahedra that share corners with four equivalent O(1)NaMgTiBi tetrahedra, corners with seven equivalent O(2)NaMgTi2 tetrahedra,  an edgeedge with one O(2)NaMgTi2 tetrahedra, and edges with two equivalent O(1)NaMgTiBi tetrahedra. In the second O site, O(2) is bonded to one Na(1), one Mg(1), one Ti(1), and one Ti(2) atom to form distorted ONaMgTi2 tetrahedra that share corners with four equivalent O(2)NaMgTi2 tetrahedra, corners with seven equivalent O(1)NaMgTiBi tetrahedra,  an edgeedge with one O(1)NaMgTiBi tetrahedra, and edges with two equivalent O(2)NaMgTi2 tetrahedra. is represented by the CIF card [CIF]
data_NaMgTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.733
_cell_length_b   6.733
_cell_length_c   6.733
_cell_angle_alpha   48.066
_cell_angle_beta   48.066
_cell_angle_gamma   48.066
_symmetry_Int_Tables_number   1
_cell_volume   154.780
_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  0.180  0.180  0.180  1.0
  Mg  Mg1  1  0.343  0.343  0.343  1.0
  Ti  Ti2  1  0.012  0.012  0.012  1.0
  Ti  Ti3  1  0.604  0.604  0.604  1.0
  Bi  Bi4  1  0.761  0.761  0.761  1.0
  O  O5  1  0.146  0.310  0.756  1.0
  O  O6  1  0.310  0.756  0.146  1.0
  O  O7  1  0.756  0.146  0.310  1.0
  O  O8  1  0.270  0.941  0.611  1.0
  O  O9  1  0.611  0.270  0.941  1.0
  O  O10  1  0.941  0.611  0.270  1.0
[/CIF]
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The material structure described by NaMgTi2BiO6 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 to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share edges with three equivalent Ti(1)O6 octahedra. 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 TiO6 octahedra that share edges with three equivalent Mg(1)O6 octahedra. In the second Ti site, Ti(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. Bi(1) is bonded in a distorted trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Mg(1), one Ti(1), and one Bi(1) atom to form distorted ONaMgTiBi tetrahedra that share corners with four equivalent O(1)NaMgTiBi tetrahedra, corners with seven equivalent O(2)NaMgTi2 tetrahedra,  an edgeedge with one O(2)NaMgTi2 tetrahedra, and edges with two equivalent O(1)NaMgTiBi tetrahedra. In the second O site, O(2) is bonded to one Na(1), one Mg(1), one Ti(1), and one Ti(2) atom to form distorted ONaMgTi2 tetrahedra that share corners with four equivalent O(2)NaMgTi2 tetrahedra, corners with seven equivalent O(1)NaMgTiBi tetrahedra,  an edgeedge with one O(1)NaMgTiBi tetrahedra, and edges with two equivalent O(2)NaMgTi2 tetrahedra. is represented by the CIF card [CIF]
data_NaMgTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.733
_cell_length_b   6.733
_cell_length_c   6.733
_cell_angle_alpha   48.066
_cell_angle_beta   48.066
_cell_angle_gamma   48.066
_symmetry_Int_Tables_number   1
_cell_volume   154.780
_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  0.180  0.180  0.180  1.0
  Mg  Mg1  1  0.343  0.343  0.343  1.0
  Ti  Ti2  1  0.012  0.012  0.012  1.0
  Ti  Ti3  1  0.604  0.604  0.604  1.0
  Bi  Bi4  1  0.761  0.761  0.761  1.0
  O  O5  1  0.146  0.310  0.756  1.0
  O  O6  1  0.310  0.756  0.146  1.0
  O  O7  1  0.756  0.146  0.310  1.0
  O  O8  1  0.270  0.941  0.611  1.0
  O  O9  1  0.611  0.270  0.941  1.0
  O  O10  1  0.941  0.611  0.270  1.0
[/CIF]
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