The material structure described by NaMn2BiO6 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. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Bi(1) is bonded in a 6-coordinate geometry to 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 4-coordinate geometry to one Na(1), one Mn(1), one Mn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Mn(1), one Mn(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaMn2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.455
_cell_length_c   5.455
_cell_angle_alpha   59.924
_cell_angle_beta   59.924
_cell_angle_gamma   59.924
_symmetry_Int_Tables_number   1
_cell_volume   114.614
_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  0.730  0.730  0.730  1.0
  Mn  Mn1  1  0.992  0.992  0.992  1.0
  Mn  Mn2  1  0.492  0.492  0.492  1.0
  Bi  Bi3  1  0.219  0.219  0.219  1.0
  O  O4  1  0.666  0.251  0.826  1.0
  O  O5  1  0.251  0.826  0.666  1.0
  O  O6  1  0.826  0.666  0.251  1.0
  O  O7  1  0.170  0.320  0.770  1.0
  O  O8  1  0.770  0.170  0.320  1.0
  O  O9  1  0.320  0.770  0.170  1.0
[/CIF]
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The material structure described by NaMn2BiO6 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. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Bi(1) is bonded in a 6-coordinate geometry to 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 4-coordinate geometry to one Na(1), one Mn(1), one Mn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Mn(1), one Mn(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaMn2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.455
_cell_length_b   5.455
_cell_length_c   5.455
_cell_angle_alpha   59.924
_cell_angle_beta   59.924
_cell_angle_gamma   59.924
_symmetry_Int_Tables_number   1
_cell_volume   114.614
_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  0.730  0.730  0.730  1.0
  Mn  Mn1  1  0.992  0.992  0.992  1.0
  Mn  Mn2  1  0.492  0.492  0.492  1.0
  Bi  Bi3  1  0.219  0.219  0.219  1.0
  O  O4  1  0.666  0.251  0.826  1.0
  O  O5  1  0.251  0.826  0.666  1.0
  O  O6  1  0.826  0.666  0.251  1.0
  O  O7  1  0.170  0.320  0.770  1.0
  O  O8  1  0.770  0.170  0.320  1.0
  O  O9  1  0.320  0.770  0.170  1.0
[/CIF]
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