The structure described by NiOBr crystallizes in the orthorhombic Pmmm space group. Ni(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) and two equivalent Br(1) atoms. O(1) is bonded in a square co-planar geometry to four equivalent Ni(1) atoms. Br(1) is bonded to two equivalent Ni(1) and four equivalent Br(1) atoms to form a mixture of distorted corner and edge-sharing BrNi2Br4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.794
_cell_length_b   2.901
_cell_length_c   5.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   48.624
_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
  Ni  Ni0  1  0.000  0.000  0.500  1.0
  Br  Br1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by NiOBr crystallizes in the orthorhombic Pmmm space group. Ni(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) and two equivalent Br(1) atoms. O(1) is bonded in a square co-planar geometry to four equivalent Ni(1) atoms. Br(1) is bonded to two equivalent Ni(1) and four equivalent Br(1) atoms to form a mixture of distorted corner and edge-sharing BrNi2Br4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.794
_cell_length_b   2.901
_cell_length_c   5.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   48.624
_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
  Ni  Ni0  1  0.000  0.000  0.500  1.0
  Br  Br1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.500  0.500  0.500  1.0
[/CIF]
.