The material structure described by V5B6 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one B(1) and six equivalent B(3) atoms. In the second V site, V(2) is bonded in a 7-coordinate geometry to one B(3), two equivalent B(2), and four equivalent B(1) atoms. In the third V site, V(3) is bonded to four equivalent B(1) and eight equivalent B(2) atoms to form a mixture of face and edge-sharing VB12 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one V(1), two equivalent V(3), four equivalent V(2), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent V(2), four equivalent V(3), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one V(2), six equivalent V(1), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_V5B6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.968
_cell_length_b   3.034
_cell_length_c   10.683
_cell_angle_alpha   90.000
_cell_angle_beta   97.983
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   95.250
_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  0.806  0.500  0.611  1.0
  V  V1  1  0.194  0.500  0.389  1.0
  V  V2  1  0.617  0.000  0.234  1.0
  V  V3  1  0.383  0.000  0.766  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  B  B5  1  0.915  0.500  0.830  1.0
  B  B6  1  0.085  0.500  0.170  1.0
  B  B7  1  0.541  0.500  0.082  1.0
  B  B8  1  0.459  0.500  0.918  1.0
  B  B9  1  0.726  0.000  0.452  1.0
  B  B10  1  0.274  0.000  0.548  1.0
[/CIF]
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The material structure described by V5B6 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one B(1) and six equivalent B(3) atoms. In the second V site, V(2) is bonded in a 7-coordinate geometry to one B(3), two equivalent B(2), and four equivalent B(1) atoms. In the third V site, V(3) is bonded to four equivalent B(1) and eight equivalent B(2) atoms to form a mixture of face and edge-sharing VB12 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to one V(1), two equivalent V(3), four equivalent V(2), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent V(2), four equivalent V(3), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one V(2), six equivalent V(1), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_V5B6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.968
_cell_length_b   3.034
_cell_length_c   10.683
_cell_angle_alpha   90.000
_cell_angle_beta   97.983
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   95.250
_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  0.806  0.500  0.611  1.0
  V  V1  1  0.194  0.500  0.389  1.0
  V  V2  1  0.617  0.000  0.234  1.0
  V  V3  1  0.383  0.000  0.766  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  B  B5  1  0.915  0.500  0.830  1.0
  B  B6  1  0.085  0.500  0.170  1.0
  B  B7  1  0.541  0.500  0.082  1.0
  B  B8  1  0.459  0.500  0.918  1.0
  B  B9  1  0.726  0.000  0.452  1.0
  B  B10  1  0.274  0.000  0.548  1.0
[/CIF]
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