The material described by V11ReB8 crystallizes in the monoclinic P2/m space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent Re(1), two equivalent B(1), and four equivalent B(3) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent B(2) and four equivalent B(4) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to two equivalent Re(1), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to two equivalent B(1), two equivalent B(2), and two equivalent B(4) atoms. In the fifth V site, V(5) is bonded in a square co-planar geometry to two equivalent B(2) and two equivalent B(4) atoms. In the sixth V site, V(6) is bonded in a rectangular see-saw-like geometry to one B(1), one B(2), one B(3), and one B(4) atom. Re(1) is bonded to four equivalent V(1), four equivalent V(3), two equivalent B(1), and two equivalent B(3) atoms to form distorted face-sharing ReV8B4 cuboctahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one V(6), two equivalent V(1), two equivalent V(3), two equivalent V(4), one Re(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to one V(5), one V(6), two equivalent V(2), two equivalent V(3), two equivalent V(4), and one B(1) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to one V(6), two equivalent V(3), four equivalent V(1), one Re(1), and one B(3) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one V(5), one V(6), two equivalent V(4), four equivalent V(2), and one B(4) atom. is represented by the CIF card [CIF]
data_V11ReB8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.030
_cell_length_b   5.751
_cell_length_c   11.504
_cell_angle_alpha   89.992
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.504
_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  0.500  0.827  0.091  1.0
  V  V1  1  0.500  0.822  0.588  1.0
  V  V2  1  0.500  0.173  0.909  1.0
  V  V3  1  0.500  0.178  0.412  1.0
  V  V4  1  0.500  0.680  0.836  1.0
  V  V5  1  0.500  0.678  0.339  1.0
  V  V6  1  0.500  0.320  0.164  1.0
  V  V7  1  0.500  0.322  0.661  1.0
  V  V8  1  0.000  0.500  0.500  1.0
  V  V9  1  0.000  0.000  0.749  1.0
  V  V10  1  0.000  1.000  0.251  1.0
  Re  Re11  1  0.000  0.500  0.000  1.0
  B  B12  1  0.000  0.388  0.805  1.0
  B  B13  1  0.000  0.388  0.307  1.0
  B  B14  1  0.000  0.612  0.195  1.0
  B  B15  1  0.000  0.612  0.693  1.0
  B  B16  1  0.000  0.111  0.056  1.0
  B  B17  1  0.000  0.111  0.555  1.0
  B  B18  1  0.000  0.889  0.944  1.0
  B  B19  1  0.000  0.889  0.445  1.0
[/CIF]
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The material described by V11ReB8 crystallizes in the monoclinic P2/m space group. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent Re(1), two equivalent B(1), and four equivalent B(3) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent B(2) and four equivalent B(4) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to two equivalent Re(1), two equivalent B(1), two equivalent B(2), and two equivalent B(3) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to two equivalent B(1), two equivalent B(2), and two equivalent B(4) atoms. In the fifth V site, V(5) is bonded in a square co-planar geometry to two equivalent B(2) and two equivalent B(4) atoms. In the sixth V site, V(6) is bonded in a rectangular see-saw-like geometry to one B(1), one B(2), one B(3), and one B(4) atom. Re(1) is bonded to four equivalent V(1), four equivalent V(3), two equivalent B(1), and two equivalent B(3) atoms to form distorted face-sharing ReV8B4 cuboctahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one V(6), two equivalent V(1), two equivalent V(3), two equivalent V(4), one Re(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to one V(5), one V(6), two equivalent V(2), two equivalent V(3), two equivalent V(4), and one B(1) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to one V(6), two equivalent V(3), four equivalent V(1), one Re(1), and one B(3) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one V(5), one V(6), two equivalent V(4), four equivalent V(2), and one B(4) atom. is represented by the CIF card [CIF]
data_V11ReB8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.030
_cell_length_b   5.751
_cell_length_c   11.504
_cell_angle_alpha   89.992
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.504
_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  0.500  0.827  0.091  1.0
  V  V1  1  0.500  0.822  0.588  1.0
  V  V2  1  0.500  0.173  0.909  1.0
  V  V3  1  0.500  0.178  0.412  1.0
  V  V4  1  0.500  0.680  0.836  1.0
  V  V5  1  0.500  0.678  0.339  1.0
  V  V6  1  0.500  0.320  0.164  1.0
  V  V7  1  0.500  0.322  0.661  1.0
  V  V8  1  0.000  0.500  0.500  1.0
  V  V9  1  0.000  0.000  0.749  1.0
  V  V10  1  0.000  1.000  0.251  1.0
  Re  Re11  1  0.000  0.500  0.000  1.0
  B  B12  1  0.000  0.388  0.805  1.0
  B  B13  1  0.000  0.388  0.307  1.0
  B  B14  1  0.000  0.612  0.195  1.0
  B  B15  1  0.000  0.612  0.693  1.0
  B  B16  1  0.000  0.111  0.056  1.0
  B  B17  1  0.000  0.111  0.555  1.0
  B  B18  1  0.000  0.889  0.944  1.0
  B  B19  1  0.000  0.889  0.445  1.0
[/CIF]
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