The material structure described by Ni20Ti3B6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Ti(2) and three equivalent B(1) atoms to form a mixture of corner and edge-sharing NiTiB3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Ti(1) 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_Ti3(Ni10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   7.376
_cell_angle_alpha   60.004
_cell_angle_beta   60.004
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   283.735
_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
  Ti  Ti0  1  1.000  1.000  0.000  1.0
  Ti  Ti1  1  0.750  0.750  0.750  1.0
  Ti  Ti2  1  0.250  0.250  0.250  1.0
  Ni  Ni3  1  0.617  0.617  0.149  1.0
  Ni  Ni4  1  0.617  0.149  0.617  1.0
  Ni  Ni5  1  0.149  0.617  0.617  1.0
  Ni  Ni6  1  0.617  0.617  0.617  1.0
  Ni  Ni7  1  0.383  0.383  0.851  1.0
  Ni  Ni8  1  0.383  0.851  0.383  1.0
  Ni  Ni9  1  0.851  0.383  0.383  1.0
  Ni  Ni10  1  0.383  0.383  0.383  1.0
  Ni  Ni11  1  0.000  0.000  0.342  1.0
  Ni  Ni12  1  0.658  0.000  0.342  1.0
  Ni  Ni13  1  1.000  0.658  0.342  1.0
  Ni  Ni14  1  0.658  0.342  0.000  1.0
  Ni  Ni15  1  0.000  0.342  0.000  1.0
  Ni  Ni16  1  0.000  0.342  0.658  1.0
  Ni  Ni17  1  0.342  0.658  1.000  1.0
  Ni  Ni18  1  0.342  1.000  0.658  1.0
  Ni  Ni19  1  0.342  0.000  0.000  1.0
  Ni  Ni20  1  1.000  1.000  0.658  1.0
  Ni  Ni21  1  1.000  0.658  1.000  1.0
  Ni  Ni22  1  0.658  1.000  1.000  1.0
  B  B23  1  0.732  0.732  0.268  1.0
  B  B24  1  0.268  0.732  0.268  1.0
  B  B25  1  0.732  0.268  0.268  1.0
  B  B26  1  0.268  0.268  0.732  1.0
  B  B27  1  0.732  0.268  0.732  1.0
  B  B28  1  0.268  0.732  0.732  1.0
[/CIF]
.
The material structure described by Ni20Ti3B6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Ti(2) and three equivalent B(1) atoms to form a mixture of corner and edge-sharing NiTiB3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Ti(1) 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_Ti3(Ni10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   7.376
_cell_angle_alpha   60.004
_cell_angle_beta   60.004
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   283.735
_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
  Ti  Ti0  1  1.000  1.000  0.000  1.0
  Ti  Ti1  1  0.750  0.750  0.750  1.0
  Ti  Ti2  1  0.250  0.250  0.250  1.0
  Ni  Ni3  1  0.617  0.617  0.149  1.0
  Ni  Ni4  1  0.617  0.149  0.617  1.0
  Ni  Ni5  1  0.149  0.617  0.617  1.0
  Ni  Ni6  1  0.617  0.617  0.617  1.0
  Ni  Ni7  1  0.383  0.383  0.851  1.0
  Ni  Ni8  1  0.383  0.851  0.383  1.0
  Ni  Ni9  1  0.851  0.383  0.383  1.0
  Ni  Ni10  1  0.383  0.383  0.383  1.0
  Ni  Ni11  1  0.000  0.000  0.342  1.0
  Ni  Ni12  1  0.658  0.000  0.342  1.0
  Ni  Ni13  1  1.000  0.658  0.342  1.0
  Ni  Ni14  1  0.658  0.342  0.000  1.0
  Ni  Ni15  1  0.000  0.342  0.000  1.0
  Ni  Ni16  1  0.000  0.342  0.658  1.0
  Ni  Ni17  1  0.342  0.658  1.000  1.0
  Ni  Ni18  1  0.342  1.000  0.658  1.0
  Ni  Ni19  1  0.342  0.000  0.000  1.0
  Ni  Ni20  1  1.000  1.000  0.658  1.0
  Ni  Ni21  1  1.000  0.658  1.000  1.0
  Ni  Ni22  1  0.658  1.000  1.000  1.0
  B  B23  1  0.732  0.732  0.268  1.0
  B  B24  1  0.268  0.732  0.268  1.0
  B  B25  1  0.732  0.268  0.268  1.0
  B  B26  1  0.268  0.268  0.732  1.0
  B  B27  1  0.732  0.268  0.732  1.0
  B  B28  1  0.268  0.732  0.732  1.0
[/CIF]
.