The material described by V5SiB2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent B(1) and two equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing VSi2B3 trigonal bipyramids. In the second V site, V(2) is bonded in a distorted square co-planar geometry to four equivalent B(1) and two equivalent Si(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent V(2), six equivalent V(1), and one B(1) atom. Si(1) is bonded in a 10-coordinate geometry to two equivalent V(2) and eight equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V5SiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.760
_cell_length_b   5.760
_cell_length_c   6.727
_cell_angle_alpha   115.351
_cell_angle_beta   115.353
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   177.618
_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  0.193  0.032  0.725  1.0
  V  V1  1  0.032  0.532  0.725  1.0
  V  V2  1  0.693  0.193  0.725  1.0
  V  V3  1  0.968  0.468  0.275  1.0
  V  V4  1  0.532  0.693  0.725  1.0
  V  V5  1  0.807  0.968  0.275  1.0
  V  V6  1  0.468  0.307  0.275  1.0
  V  V7  1  0.307  0.807  0.275  1.0
  V  V8  1  0.500  0.500  0.000  1.0
  V  V9  1  0.000  0.000  0.000  1.0
  Si  Si10  1  0.750  0.750  0.500  1.0
  Si  Si11  1  0.250  0.250  0.500  1.0
  B  B12  1  0.615  0.115  1.000  1.0
  B  B13  1  0.885  0.615  1.000  1.0
  B  B14  1  0.115  0.385  0.000  1.0
  B  B15  1  0.385  0.885  0.000  1.0
[/CIF]
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The material described by V5SiB2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to three equivalent B(1) and two equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing VSi2B3 trigonal bipyramids. In the second V site, V(2) is bonded in a distorted square co-planar geometry to four equivalent B(1) and two equivalent Si(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent V(2), six equivalent V(1), and one B(1) atom. Si(1) is bonded in a 10-coordinate geometry to two equivalent V(2) and eight equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V5SiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.760
_cell_length_b   5.760
_cell_length_c   6.727
_cell_angle_alpha   115.351
_cell_angle_beta   115.353
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   177.618
_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  0.193  0.032  0.725  1.0
  V  V1  1  0.032  0.532  0.725  1.0
  V  V2  1  0.693  0.193  0.725  1.0
  V  V3  1  0.968  0.468  0.275  1.0
  V  V4  1  0.532  0.693  0.725  1.0
  V  V5  1  0.807  0.968  0.275  1.0
  V  V6  1  0.468  0.307  0.275  1.0
  V  V7  1  0.307  0.807  0.275  1.0
  V  V8  1  0.500  0.500  0.000  1.0
  V  V9  1  0.000  0.000  0.000  1.0
  Si  Si10  1  0.750  0.750  0.500  1.0
  Si  Si11  1  0.250  0.250  0.500  1.0
  B  B12  1  0.615  0.115  1.000  1.0
  B  B13  1  0.885  0.615  1.000  1.0
  B  B14  1  0.115  0.385  0.000  1.0
  B  B15  1  0.385  0.885  0.000  1.0
[/CIF]
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