The compound described by V3Br crystallizes in the tetragonal I4/mmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent V(1), four equivalent V(2), and four equivalent Br(1) atoms to form distorted VV8Br4 cuboctahedra that share corners with twelve equivalent V(1)V8Br4 cuboctahedra, edges with eight equivalent V(1)V8Br4 cuboctahedra, edges with eight equivalent Br(1)V12 cuboctahedra, faces with four equivalent Br(1)V12 cuboctahedra, and faces with ten equivalent V(1)V8Br4 cuboctahedra. In the second V site, V(2) is bonded in a square co-planar geometry to eight equivalent V(1) and four equivalent Br(1) atoms. Br(1) is bonded to four equivalent V(2) and eight equivalent V(1) atoms to form distorted BrV12 cuboctahedra that share corners with four equivalent Br(1)V12 cuboctahedra, edges with eight equivalent Br(1)V12 cuboctahedra, edges with sixteen equivalent V(1)V8Br4 cuboctahedra, faces with four equivalent Br(1)V12 cuboctahedra, and faces with eight equivalent V(1)V8Br4 cuboctahedra. is represented by the CIF card [CIF]
data_V3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   5.197
_cell_length_c   5.197
_cell_angle_alpha   140.055
_cell_angle_beta   140.055
_cell_angle_gamma   57.769
_symmetry_Int_Tables_number   1
_cell_volume   57.367
_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
  V  V0  1  0.750  0.250  0.500  1.0
  V  V1  1  0.250  0.750  0.500  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by V3Br crystallizes in the tetragonal I4/mmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent V(1), four equivalent V(2), and four equivalent Br(1) atoms to form distorted VV8Br4 cuboctahedra that share corners with twelve equivalent V(1)V8Br4 cuboctahedra, edges with eight equivalent V(1)V8Br4 cuboctahedra, edges with eight equivalent Br(1)V12 cuboctahedra, faces with four equivalent Br(1)V12 cuboctahedra, and faces with ten equivalent V(1)V8Br4 cuboctahedra. In the second V site, V(2) is bonded in a square co-planar geometry to eight equivalent V(1) and four equivalent Br(1) atoms. Br(1) is bonded to four equivalent V(2) and eight equivalent V(1) atoms to form distorted BrV12 cuboctahedra that share corners with four equivalent Br(1)V12 cuboctahedra, edges with eight equivalent Br(1)V12 cuboctahedra, edges with sixteen equivalent V(1)V8Br4 cuboctahedra, faces with four equivalent Br(1)V12 cuboctahedra, and faces with eight equivalent V(1)V8Br4 cuboctahedra. is represented by the CIF card [CIF]
data_V3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   5.197
_cell_length_c   5.197
_cell_angle_alpha   140.055
_cell_angle_beta   140.055
_cell_angle_gamma   57.769
_symmetry_Int_Tables_number   1
_cell_volume   57.367
_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
  V  V0  1  0.750  0.250  0.500  1.0
  V  V1  1  0.250  0.750  0.500  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.000  0.000  1.0
[/CIF]
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