The compound described by Na3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Br(1) atoms. O(1) is bonded to six equivalent Na(1) atoms to form ONa6 octahedra that share corners with six equivalent O(1)Na6 octahedra and faces with eight equivalent Br(1)Na12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to twelve equivalent Na(1) atoms to form BrNa12 cuboctahedra that share corners with twelve equivalent Br(1)Na12 cuboctahedra, faces with six equivalent Br(1)Na12 cuboctahedra, and faces with eight equivalent O(1)Na6 octahedra. is represented by the CIF card [CIF]
data_Na3BrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.533
_cell_length_b   4.533
_cell_length_c   4.533
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.153
_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  0.000  0.500  0.500  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Na3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Br(1) atoms. O(1) is bonded to six equivalent Na(1) atoms to form ONa6 octahedra that share corners with six equivalent O(1)Na6 octahedra and faces with eight equivalent Br(1)Na12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded to twelve equivalent Na(1) atoms to form BrNa12 cuboctahedra that share corners with twelve equivalent Br(1)Na12 cuboctahedra, faces with six equivalent Br(1)Na12 cuboctahedra, and faces with eight equivalent O(1)Na6 octahedra. is represented by the CIF card [CIF]
data_Na3BrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.533
_cell_length_b   4.533
_cell_length_c   4.533
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   93.153
_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  0.000  0.500  0.500  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.500  0.500  1.0
[/CIF]
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