The compound described by Nb3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Nb(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing NiNbB3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Nb(2) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_Nb3(Ni10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.435
_cell_length_b   7.435
_cell_length_c   7.435
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   290.604
_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
  Nb  Nb0  1  0.250  0.250  0.250  1.0
  Nb  Nb1  1  0.750  0.750  0.750  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.385  0.385  0.385  1.0
  Ni  Ni4  1  0.615  0.615  0.615  1.0
  Ni  Ni5  1  0.385  0.385  0.846  1.0
  Ni  Ni6  1  0.385  0.846  0.385  1.0
  Ni  Ni7  1  0.615  0.615  0.154  1.0
  Ni  Ni8  1  0.615  0.154  0.615  1.0
  Ni  Ni9  1  0.846  0.385  0.385  1.0
  Ni  Ni10  1  0.154  0.615  0.615  1.0
  Ni  Ni11  1  0.344  0.000  0.000  1.0
  Ni  Ni12  1  0.656  0.000  0.000  1.0
  Ni  Ni13  1  0.000  0.344  0.656  1.0
  Ni  Ni14  1  0.000  0.656  0.344  1.0
  Ni  Ni15  1  0.000  0.344  0.000  1.0
  Ni  Ni16  1  0.656  0.000  0.344  1.0
  Ni  Ni17  1  0.000  0.656  0.000  1.0
  Ni  Ni18  1  0.344  0.000  0.656  1.0
  Ni  Ni19  1  0.000  0.000  0.344  1.0
  Ni  Ni20  1  0.000  0.000  0.656  1.0
  Ni  Ni21  1  0.656  0.344  0.000  1.0
  Ni  Ni22  1  0.344  0.656  0.000  1.0
  B  B23  1  0.733  0.267  0.267  1.0
  B  B24  1  0.267  0.733  0.733  1.0
  B  B25  1  0.267  0.733  0.267  1.0
  B  B26  1  0.733  0.267  0.733  1.0
  B  B27  1  0.267  0.267  0.733  1.0
  B  B28  1  0.733  0.733  0.267  1.0
[/CIF]
.
The compound described by Nb3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Nb(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing NiNbB3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Nb(2) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_Nb3(Ni10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.435
_cell_length_b   7.435
_cell_length_c   7.435
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   290.604
_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
  Nb  Nb0  1  0.250  0.250  0.250  1.0
  Nb  Nb1  1  0.750  0.750  0.750  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.385  0.385  0.385  1.0
  Ni  Ni4  1  0.615  0.615  0.615  1.0
  Ni  Ni5  1  0.385  0.385  0.846  1.0
  Ni  Ni6  1  0.385  0.846  0.385  1.0
  Ni  Ni7  1  0.615  0.615  0.154  1.0
  Ni  Ni8  1  0.615  0.154  0.615  1.0
  Ni  Ni9  1  0.846  0.385  0.385  1.0
  Ni  Ni10  1  0.154  0.615  0.615  1.0
  Ni  Ni11  1  0.344  0.000  0.000  1.0
  Ni  Ni12  1  0.656  0.000  0.000  1.0
  Ni  Ni13  1  0.000  0.344  0.656  1.0
  Ni  Ni14  1  0.000  0.656  0.344  1.0
  Ni  Ni15  1  0.000  0.344  0.000  1.0
  Ni  Ni16  1  0.656  0.000  0.344  1.0
  Ni  Ni17  1  0.000  0.656  0.000  1.0
  Ni  Ni18  1  0.344  0.000  0.656  1.0
  Ni  Ni19  1  0.000  0.000  0.344  1.0
  Ni  Ni20  1  0.000  0.000  0.656  1.0
  Ni  Ni21  1  0.656  0.344  0.000  1.0
  Ni  Ni22  1  0.344  0.656  0.000  1.0
  B  B23  1  0.733  0.267  0.267  1.0
  B  B24  1  0.267  0.733  0.733  1.0
  B  B25  1  0.267  0.733  0.267  1.0
  B  B26  1  0.733  0.267  0.733  1.0
  B  B27  1  0.267  0.267  0.733  1.0
  B  B28  1  0.733  0.733  0.267  1.0
[/CIF]
.