data_VInB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.05
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInB2
_chemical_formula_sum   'V1 In1 B2'
_cell_volume   49.42
_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  V3  1  0.02  0.0  0.66  1.0
  In  In2  1  0.43  0.53  0.65  1.0
  B  B0  1  0.09  0.53  0.99  1.0
  B  B1  1  0.1  0.0  0.28  1.0

data_VInB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.22
_cell_length_c   5.26
_cell_angle_alpha   106.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInB2
_chemical_formula_sum   'V1 In1 B2'
_cell_volume   49.42
_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  0.0  0.98  0.34  1.0
  In  In1  1  0.47  0.57  0.35  1.0
  B  B2  1  0.0  0.9  0.72  1.0
  B  B3  1  0.47  0.91  0.01  1.0

V In B B
V In B B 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 o - o 0 2 o o o 0 3 o o o 1 3 o o o 1 3 o + o 1 2 o o o 1 2 + o o 2 3 o o + 2 3 o + + 
VInB2 crystallizes in the triclinic P1 space group. V(1) is bonded in a 7-coordinate geometry to four equivalent In(1), one B(2), and two equivalent B(1) atoms. There are a spread of V(1)-In(1) bond distances ranging from 1.97-2.47 Å. The V(1)-B(2) bond length is 2.04 Å. There is one shorter (2.26 Å) and one longer (2.36 Å) V(1)-B(1) bond length. In(1) is bonded in a 8-coordinate geometry to four equivalent V(1), two equivalent B(1), and two equivalent B(2) atoms. There is one shorter (2.37 Å) and one longer (2.38 Å) In(1)-B(1) bond length. There is one shorter (2.38 Å) and one longer (2.49 Å) In(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded to two equivalent V(1), two equivalent In(1), and two equivalent B(2) atoms to form a mixture of distorted corner and edge-sharing BV2In2B2 octahedra. The corner-sharing octahedral tilt angles are 95°. There is one shorter (2.09 Å) and one longer (2.21 Å) B(1)-B(2) bond length. In the second B site, B(2) is bonded in a 5-coordinate geometry to one V(1), two equivalent In(1), and two equivalent B(1) atoms.