The material described by MnBr2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent Br(1) atoms to form edge-sharing MnBr6 octahedra. Br(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.751
_cell_length_b   7.751
_cell_length_c   7.751
_cell_angle_alpha   60.000
_cell_angle_beta   60.001
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   329.230
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Br  Br4  1  0.746  0.746  0.746  1.0
  Br  Br5  1  0.746  0.262  0.746  1.0
  Br  Br6  1  0.254  0.254  0.254  1.0
  Br  Br7  1  0.254  0.738  0.254  1.0
  Br  Br8  1  0.254  0.254  0.738  1.0
  Br  Br9  1  0.262  0.746  0.746  1.0
  Br  Br10  1  0.738  0.254  0.254  1.0
  Br  Br11  1  0.746  0.746  0.262  1.0
[/CIF]
.
The material described by MnBr2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent Br(1) atoms to form edge-sharing MnBr6 octahedra. Br(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.751
_cell_length_b   7.751
_cell_length_c   7.751
_cell_angle_alpha   60.000
_cell_angle_beta   60.001
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   329.230
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Br  Br4  1  0.746  0.746  0.746  1.0
  Br  Br5  1  0.746  0.262  0.746  1.0
  Br  Br6  1  0.254  0.254  0.254  1.0
  Br  Br7  1  0.254  0.738  0.254  1.0
  Br  Br8  1  0.254  0.254  0.738  1.0
  Br  Br9  1  0.262  0.746  0.746  1.0
  Br  Br10  1  0.738  0.254  0.254  1.0
  Br  Br11  1  0.746  0.746  0.262  1.0
[/CIF]
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