The material described by Rb3V2Br9 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Br(4), one Br(6), two equivalent Br(1), two equivalent Br(2), two equivalent Br(5), and four equivalent Br(3) atoms to form distorted RbBr12 cuboctahedra that share corners with three equivalent Rb(3)Br12 cuboctahedra, corners with six equivalent Rb(1)Br12 cuboctahedra, corners with three equivalent V(2)Br6 octahedra, faces with three equivalent Rb(3)Br12 cuboctahedra, faces with four equivalent Rb(2)Br12 cuboctahedra,  a faceface with one V(2)Br6 octahedra, and faces with three equivalent V(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the second Rb site, Rb(2) is bonded to one Br(2), one Br(6), two equivalent Br(3), two equivalent Br(4), two equivalent Br(5), and four equivalent Br(1) atoms to form distorted RbBr12 cuboctahedra that share corners with three equivalent Rb(3)Br12 cuboctahedra, corners with six equivalent Rb(2)Br12 cuboctahedra, corners with three equivalent V(1)Br6 octahedra, faces with three equivalent Rb(3)Br12 cuboctahedra, faces with four equivalent Rb(1)Br12 cuboctahedra,  a faceface with one V(1)Br6 octahedra, and faces with three equivalent V(2)Br6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the third Rb site, Rb(3) is bonded to one Br(2), one Br(4), two equivalent Br(1), two equivalent Br(3), two equivalent Br(6), and four equivalent Br(5) atoms to form RbBr12 cuboctahedra that share corners with three equivalent Rb(1)Br12 cuboctahedra, corners with three equivalent Rb(2)Br12 cuboctahedra, corners with six equivalent Rb(3)Br12 cuboctahedra, faces with three equivalent Rb(1)Br12 cuboctahedra, faces with three equivalent Rb(2)Br12 cuboctahedra, faces with three equivalent V(1)Br6 octahedra, and faces with three equivalent V(2)Br6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one Br(2), one Br(6), two equivalent Br(3), and two equivalent Br(5) atoms to form VBr6 octahedra that share corners with three equivalent Rb(2)Br12 cuboctahedra,  a faceface with one Rb(2)Br12 cuboctahedra, faces with three equivalent Rb(1)Br12 cuboctahedra, faces with three equivalent Rb(3)Br12 cuboctahedra, and  a faceface with one V(2)Br6 octahedra. In the second V site, V(2) is bonded to one Br(4), one Br(6), two equivalent Br(1), and two equivalent Br(5) atoms to form VBr6 octahedra that share corners with three equivalent Rb(1)Br12 cuboctahedra,  a faceface with one Rb(1)Br12 cuboctahedra, faces with three equivalent Rb(2)Br12 cuboctahedra, faces with three equivalent Rb(3)Br12 cuboctahedra, and  a faceface with one V(1)Br6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one V(2) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one V(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one V(1) atom. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one V(2) atom. In the fifth Br site, Br(5) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), one V(1), and one V(2) atom. In the sixth Br site, Br(6) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_Rb3V2Br9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.459
_cell_length_b   7.458
_cell_length_c   18.751
_cell_angle_alpha   89.996
_cell_angle_beta   90.006
_cell_angle_gamma   119.990
_symmetry_Int_Tables_number   1
_cell_volume   903.410
_cell_formula_units_Z   2
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  0.667  0.333  0.569  1.0
  Rb  Rb1  1  0.333  0.667  0.069  1.0
  Rb  Rb2  1  0.334  0.666  0.431  1.0
  Rb  Rb3  1  0.666  0.334  0.931  1.0
  Rb  Rb4  1  1.000  0.000  0.251  1.0
  Rb  Rb5  1  0.000  1.000  0.751  1.0
  V  V6  1  0.333  0.667  0.659  1.0
  V  V7  1  0.666  0.334  0.339  1.0
  V  V8  1  0.334  0.666  0.839  1.0
  V  V9  1  0.667  0.333  0.159  1.0
  Br  Br10  1  0.829  0.656  0.411  1.0
  Br  Br11  1  0.170  0.830  0.591  1.0
  Br  Br12  1  0.657  0.829  0.589  1.0
  Br  Br13  1  0.828  0.172  0.410  1.0
  Br  Br14  1  0.344  0.171  0.411  1.0
  Br  Br15  1  0.171  0.344  0.911  1.0
  Br  Br16  1  0.019  0.507  0.750  1.0
  Br  Br17  1  0.656  0.829  0.911  1.0
  Br  Br18  1  0.829  0.657  0.089  1.0
  Br  Br19  1  0.171  0.343  0.589  1.0
  Br  Br20  1  0.493  0.981  0.750  1.0
  Br  Br21  1  0.510  0.490  0.249  1.0
  Br  Br22  1  0.490  0.510  0.750  1.0
  Br  Br23  1  0.172  0.828  0.910  1.0
  Br  Br24  1  0.343  0.171  0.089  1.0
  Br  Br25  1  0.981  0.493  0.250  1.0
  Br  Br26  1  0.507  0.019  0.250  1.0
  Br  Br27  1  0.830  0.170  0.091  1.0
[/CIF]
.
The material described by Rb3V2Br9 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Br(4), one Br(6), two equivalent Br(1), two equivalent Br(2), two equivalent Br(5), and four equivalent Br(3) atoms to form distorted RbBr12 cuboctahedra that share corners with three equivalent Rb(3)Br12 cuboctahedra, corners with six equivalent Rb(1)Br12 cuboctahedra, corners with three equivalent V(2)Br6 octahedra, faces with three equivalent Rb(3)Br12 cuboctahedra, faces with four equivalent Rb(2)Br12 cuboctahedra,  a faceface with one V(2)Br6 octahedra, and faces with three equivalent V(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the second Rb site, Rb(2) is bonded to one Br(2), one Br(6), two equivalent Br(3), two equivalent Br(4), two equivalent Br(5), and four equivalent Br(1) atoms to form distorted RbBr12 cuboctahedra that share corners with three equivalent Rb(3)Br12 cuboctahedra, corners with six equivalent Rb(2)Br12 cuboctahedra, corners with three equivalent V(1)Br6 octahedra, faces with three equivalent Rb(3)Br12 cuboctahedra, faces with four equivalent Rb(1)Br12 cuboctahedra,  a faceface with one V(1)Br6 octahedra, and faces with three equivalent V(2)Br6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the third Rb site, Rb(3) is bonded to one Br(2), one Br(4), two equivalent Br(1), two equivalent Br(3), two equivalent Br(6), and four equivalent Br(5) atoms to form RbBr12 cuboctahedra that share corners with three equivalent Rb(1)Br12 cuboctahedra, corners with three equivalent Rb(2)Br12 cuboctahedra, corners with six equivalent Rb(3)Br12 cuboctahedra, faces with three equivalent Rb(1)Br12 cuboctahedra, faces with three equivalent Rb(2)Br12 cuboctahedra, faces with three equivalent V(1)Br6 octahedra, and faces with three equivalent V(2)Br6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one Br(2), one Br(6), two equivalent Br(3), and two equivalent Br(5) atoms to form VBr6 octahedra that share corners with three equivalent Rb(2)Br12 cuboctahedra,  a faceface with one Rb(2)Br12 cuboctahedra, faces with three equivalent Rb(1)Br12 cuboctahedra, faces with three equivalent Rb(3)Br12 cuboctahedra, and  a faceface with one V(2)Br6 octahedra. In the second V site, V(2) is bonded to one Br(4), one Br(6), two equivalent Br(1), and two equivalent Br(5) atoms to form VBr6 octahedra that share corners with three equivalent Rb(1)Br12 cuboctahedra,  a faceface with one Rb(1)Br12 cuboctahedra, faces with three equivalent Rb(2)Br12 cuboctahedra, faces with three equivalent Rb(3)Br12 cuboctahedra, and  a faceface with one V(1)Br6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one V(2) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one V(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), two equivalent Rb(1), and one V(1) atom. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one V(2) atom. In the fifth Br site, Br(5) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), one V(1), and one V(2) atom. In the sixth Br site, Br(6) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), one V(1), and one V(2) atom. is represented by the CIF file [CIF]
data_Rb3V2Br9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.459
_cell_length_b   7.458
_cell_length_c   18.751
_cell_angle_alpha   89.996
_cell_angle_beta   90.006
_cell_angle_gamma   119.990
_symmetry_Int_Tables_number   1
_cell_volume   903.410
_cell_formula_units_Z   2
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  0.667  0.333  0.569  1.0
  Rb  Rb1  1  0.333  0.667  0.069  1.0
  Rb  Rb2  1  0.334  0.666  0.431  1.0
  Rb  Rb3  1  0.666  0.334  0.931  1.0
  Rb  Rb4  1  1.000  0.000  0.251  1.0
  Rb  Rb5  1  0.000  1.000  0.751  1.0
  V  V6  1  0.333  0.667  0.659  1.0
  V  V7  1  0.666  0.334  0.339  1.0
  V  V8  1  0.334  0.666  0.839  1.0
  V  V9  1  0.667  0.333  0.159  1.0
  Br  Br10  1  0.829  0.656  0.411  1.0
  Br  Br11  1  0.170  0.830  0.591  1.0
  Br  Br12  1  0.657  0.829  0.589  1.0
  Br  Br13  1  0.828  0.172  0.410  1.0
  Br  Br14  1  0.344  0.171  0.411  1.0
  Br  Br15  1  0.171  0.344  0.911  1.0
  Br  Br16  1  0.019  0.507  0.750  1.0
  Br  Br17  1  0.656  0.829  0.911  1.0
  Br  Br18  1  0.829  0.657  0.089  1.0
  Br  Br19  1  0.171  0.343  0.589  1.0
  Br  Br20  1  0.493  0.981  0.750  1.0
  Br  Br21  1  0.510  0.490  0.249  1.0
  Br  Br22  1  0.490  0.510  0.750  1.0
  Br  Br23  1  0.172  0.828  0.910  1.0
  Br  Br24  1  0.343  0.171  0.089  1.0
  Br  Br25  1  0.981  0.493  0.250  1.0
  Br  Br26  1  0.507  0.019  0.250  1.0
  Br  Br27  1  0.830  0.170  0.091  1.0
[/CIF]
.