The structure described by V5B3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent B(1) and four equivalent B(2) atoms. In the second V site, V(2) is bonded to two equivalent B(1) and three equivalent B(2) atoms to form a mixture of distorted face, edge, and corner-sharing VB5 trigonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 10-coordinate geometry to two equivalent V(1) and eight equivalent V(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent V(1), six equivalent V(2), and one B(2) atom. is represented by the CIF file [CIF]
data_V5B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.643
_cell_length_b   5.643
_cell_length_c   6.543
_cell_angle_alpha   115.549
_cell_angle_beta   115.549
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.120
_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
  V  V0  1  0.500  0.500  0.000  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.031  0.531  0.714  1.0
  V  V3  1  0.683  0.183  0.714  1.0
  V  V4  1  0.183  0.031  0.714  1.0
  V  V5  1  0.531  0.683  0.714  1.0
  V  V6  1  0.969  0.469  0.286  1.0
  V  V7  1  0.317  0.817  0.286  1.0
  V  V8  1  0.817  0.969  0.286  1.0
  V  V9  1  0.469  0.317  0.286  1.0
  B  B10  1  0.250  0.250  0.500  1.0
  B  B11  1  0.750  0.750  0.500  1.0
  B  B12  1  0.614  0.114  0.000  1.0
  B  B13  1  0.386  0.886  0.000  1.0
  B  B14  1  0.886  0.614  0.000  1.0
  B  B15  1  0.114  0.386  0.000  1.0
[/CIF]
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The structure described by V5B3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to two equivalent B(1) and four equivalent B(2) atoms. In the second V site, V(2) is bonded to two equivalent B(1) and three equivalent B(2) atoms to form a mixture of distorted face, edge, and corner-sharing VB5 trigonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 10-coordinate geometry to two equivalent V(1) and eight equivalent V(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent V(1), six equivalent V(2), and one B(2) atom. is represented by the CIF file [CIF]
data_V5B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.643
_cell_length_b   5.643
_cell_length_c   6.543
_cell_angle_alpha   115.549
_cell_angle_beta   115.549
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.120
_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
  V  V0  1  0.500  0.500  0.000  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.031  0.531  0.714  1.0
  V  V3  1  0.683  0.183  0.714  1.0
  V  V4  1  0.183  0.031  0.714  1.0
  V  V5  1  0.531  0.683  0.714  1.0
  V  V6  1  0.969  0.469  0.286  1.0
  V  V7  1  0.317  0.817  0.286  1.0
  V  V8  1  0.817  0.969  0.286  1.0
  V  V9  1  0.469  0.317  0.286  1.0
  B  B10  1  0.250  0.250  0.500  1.0
  B  B11  1  0.750  0.750  0.500  1.0
  B  B12  1  0.614  0.114  0.000  1.0
  B  B13  1  0.386  0.886  0.000  1.0
  B  B14  1  0.886  0.614  0.000  1.0
  B  B15  1  0.114  0.386  0.000  1.0
[/CIF]
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