The structure described by RbVBr3 crystallizes in the trigonal P-3c1 space group. Rb(1) is bonded to four equivalent Br(2) and eight equivalent Br(1) atoms to form distorted RbBr12 cuboctahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, corners with two equivalent V(2)Br6 octahedra, corners with four equivalent V(1)Br6 octahedra, faces with eight equivalent Rb(1)Br12 cuboctahedra, faces with two equivalent V(2)Br6 octahedra, and faces with four equivalent V(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. There are two inequivalent V sites. In the first V site, V(1) is bonded to six equivalent Br(1) atoms to form VBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent V(1)Br6 octahedra. In the second V site, V(2) is bonded to six equivalent Br(2) atoms to form VBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent V(2)Br6 octahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent V(1) atoms. In the second Br site, Br(2) is bonded to four equivalent Rb(1) and two equivalent V(2) atoms to form a mixture of distorted corner and face-sharing BrRb4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF card [CIF]
data_RbVBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.892
_cell_length_b   12.892
_cell_length_c   6.458
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   929.589
_cell_formula_units_Z   6
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
  Rb  Rb0  1  1.000  0.332  0.750  1.0
  Rb  Rb1  1  0.332  0.332  0.250  1.0
  Rb  Rb2  1  0.668  0.668  0.750  1.0
  Rb  Rb3  1  1.000  0.668  0.250  1.0
  Rb  Rb4  1  0.332  0.000  0.750  1.0
  Rb  Rb5  1  0.668  0.000  0.250  1.0
  V  V6  1  0.333  0.667  0.527  1.0
  V  V7  1  0.667  0.333  0.473  1.0
  V  V8  1  0.000  1.000  1.000  1.0
  V  V9  1  0.000  1.000  0.500  1.0
  V  V10  1  0.667  0.333  0.973  1.0
  V  V11  1  0.333  0.667  0.027  1.0
  Br  Br12  1  0.829  0.496  0.722  1.0
  Br  Br13  1  0.334  0.504  0.778  1.0
  Br  Br14  1  0.171  0.666  0.778  1.0
  Br  Br15  1  0.829  0.334  0.222  1.0
  Br  Br16  1  0.171  0.504  0.278  1.0
  Br  Br17  1  0.163  0.000  0.250  1.0
  Br  Br18  1  0.334  0.829  0.278  1.0
  Br  Br19  1  0.496  0.829  0.778  1.0
  Br  Br20  1  0.666  0.171  0.722  1.0
  Br  Br21  1  0.666  0.496  0.222  1.0
  Br  Br22  1  1.000  0.163  0.250  1.0
  Br  Br23  1  0.163  0.163  0.750  1.0
  Br  Br24  1  0.837  0.000  0.750  1.0
  Br  Br25  1  1.000  0.837  0.750  1.0
  Br  Br26  1  0.837  0.837  0.250  1.0
  Br  Br27  1  0.504  0.171  0.222  1.0
  Br  Br28  1  0.496  0.666  0.278  1.0
  Br  Br29  1  0.504  0.334  0.722  1.0
[/CIF]
.
The structure described by RbVBr3 crystallizes in the trigonal P-3c1 space group. Rb(1) is bonded to four equivalent Br(2) and eight equivalent Br(1) atoms to form distorted RbBr12 cuboctahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, corners with two equivalent V(2)Br6 octahedra, corners with four equivalent V(1)Br6 octahedra, faces with eight equivalent Rb(1)Br12 cuboctahedra, faces with two equivalent V(2)Br6 octahedra, and faces with four equivalent V(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. There are two inequivalent V sites. In the first V site, V(1) is bonded to six equivalent Br(1) atoms to form VBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent V(1)Br6 octahedra. In the second V site, V(2) is bonded to six equivalent Br(2) atoms to form VBr6 octahedra that share corners with six equivalent Rb(1)Br12 cuboctahedra, faces with six equivalent Rb(1)Br12 cuboctahedra, and faces with two equivalent V(2)Br6 octahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent V(1) atoms. In the second Br site, Br(2) is bonded to four equivalent Rb(1) and two equivalent V(2) atoms to form a mixture of distorted corner and face-sharing BrRb4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF card [CIF]
data_RbVBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.892
_cell_length_b   12.892
_cell_length_c   6.458
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   929.589
_cell_formula_units_Z   6
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
  Rb  Rb0  1  1.000  0.332  0.750  1.0
  Rb  Rb1  1  0.332  0.332  0.250  1.0
  Rb  Rb2  1  0.668  0.668  0.750  1.0
  Rb  Rb3  1  1.000  0.668  0.250  1.0
  Rb  Rb4  1  0.332  0.000  0.750  1.0
  Rb  Rb5  1  0.668  0.000  0.250  1.0
  V  V6  1  0.333  0.667  0.527  1.0
  V  V7  1  0.667  0.333  0.473  1.0
  V  V8  1  0.000  1.000  1.000  1.0
  V  V9  1  0.000  1.000  0.500  1.0
  V  V10  1  0.667  0.333  0.973  1.0
  V  V11  1  0.333  0.667  0.027  1.0
  Br  Br12  1  0.829  0.496  0.722  1.0
  Br  Br13  1  0.334  0.504  0.778  1.0
  Br  Br14  1  0.171  0.666  0.778  1.0
  Br  Br15  1  0.829  0.334  0.222  1.0
  Br  Br16  1  0.171  0.504  0.278  1.0
  Br  Br17  1  0.163  0.000  0.250  1.0
  Br  Br18  1  0.334  0.829  0.278  1.0
  Br  Br19  1  0.496  0.829  0.778  1.0
  Br  Br20  1  0.666  0.171  0.722  1.0
  Br  Br21  1  0.666  0.496  0.222  1.0
  Br  Br22  1  1.000  0.163  0.250  1.0
  Br  Br23  1  0.163  0.163  0.750  1.0
  Br  Br24  1  0.837  0.000  0.750  1.0
  Br  Br25  1  1.000  0.837  0.750  1.0
  Br  Br26  1  0.837  0.837  0.250  1.0
  Br  Br27  1  0.504  0.171  0.222  1.0
  Br  Br28  1  0.496  0.666  0.278  1.0
  Br  Br29  1  0.504  0.334  0.722  1.0
[/CIF]
.