The crystal structure described by Sc2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a cuboctahedral geometry to twelve equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded to one Sc(1) and three equivalent B(1) atoms to form a mixture of corner and edge-sharing NiScB3 tetrahedra. In the third Ni site, Ni(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(2) and four equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_Sc2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   7.401
_cell_length_c   7.401
_cell_angle_alpha   60.005
_cell_angle_beta   60.004
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   286.669
_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
  Sc  Sc0  1  0.750  0.750  0.750  1.0
  Sc  Sc1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  1.000  0.000  1.000  1.0
  Ni  Ni3  1  0.615  0.615  0.156  1.0
  Ni  Ni4  1  0.615  0.156  0.615  1.0
  Ni  Ni5  1  0.156  0.615  0.615  1.0
  Ni  Ni6  1  0.615  0.615  0.615  1.0
  Ni  Ni7  1  0.385  0.385  0.844  1.0
  Ni  Ni8  1  0.385  0.844  0.385  1.0
  Ni  Ni9  1  0.844  0.385  0.385  1.0
  Ni  Ni10  1  0.385  0.385  0.385  1.0
  Ni  Ni11  1  1.000  1.000  0.338  1.0
  Ni  Ni12  1  0.662  0.000  0.338  1.0
  Ni  Ni13  1  1.000  0.662  0.338  1.0
  Ni  Ni14  1  0.662  0.338  0.000  1.0
  Ni  Ni15  1  1.000  0.338  1.000  1.0
  Ni  Ni16  1  0.000  0.338  0.662  1.0
  Ni  Ni17  1  0.338  0.662  1.000  1.0
  Ni  Ni18  1  0.338  0.000  0.662  1.0
  Ni  Ni19  1  0.338  1.000  1.000  1.0
  Ni  Ni20  1  0.000  0.000  0.662  1.0
  Ni  Ni21  1  1.000  0.662  1.000  1.0
  Ni  Ni22  1  0.662  0.000  0.000  1.0
  B  B23  1  0.729  0.729  0.271  1.0
  B  B24  1  0.271  0.729  0.271  1.0
  B  B25  1  0.729  0.271  0.271  1.0
  B  B26  1  0.271  0.271  0.729  1.0
  B  B27  1  0.729  0.271  0.729  1.0
  B  B28  1  0.271  0.729  0.729  1.0
[/CIF]
.
The crystal structure described by Sc2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a cuboctahedral geometry to twelve equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded to one Sc(1) and three equivalent B(1) atoms to form a mixture of corner and edge-sharing NiScB3 tetrahedra. In the third Ni site, Ni(3) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(2) and four equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_Sc2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.401
_cell_length_b   7.401
_cell_length_c   7.401
_cell_angle_alpha   60.005
_cell_angle_beta   60.004
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   286.669
_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
  Sc  Sc0  1  0.750  0.750  0.750  1.0
  Sc  Sc1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  1.000  0.000  1.000  1.0
  Ni  Ni3  1  0.615  0.615  0.156  1.0
  Ni  Ni4  1  0.615  0.156  0.615  1.0
  Ni  Ni5  1  0.156  0.615  0.615  1.0
  Ni  Ni6  1  0.615  0.615  0.615  1.0
  Ni  Ni7  1  0.385  0.385  0.844  1.0
  Ni  Ni8  1  0.385  0.844  0.385  1.0
  Ni  Ni9  1  0.844  0.385  0.385  1.0
  Ni  Ni10  1  0.385  0.385  0.385  1.0
  Ni  Ni11  1  1.000  1.000  0.338  1.0
  Ni  Ni12  1  0.662  0.000  0.338  1.0
  Ni  Ni13  1  1.000  0.662  0.338  1.0
  Ni  Ni14  1  0.662  0.338  0.000  1.0
  Ni  Ni15  1  1.000  0.338  1.000  1.0
  Ni  Ni16  1  0.000  0.338  0.662  1.0
  Ni  Ni17  1  0.338  0.662  1.000  1.0
  Ni  Ni18  1  0.338  0.000  0.662  1.0
  Ni  Ni19  1  0.338  1.000  1.000  1.0
  Ni  Ni20  1  0.000  0.000  0.662  1.0
  Ni  Ni21  1  1.000  0.662  1.000  1.0
  Ni  Ni22  1  0.662  0.000  0.000  1.0
  B  B23  1  0.729  0.729  0.271  1.0
  B  B24  1  0.271  0.729  0.271  1.0
  B  B25  1  0.729  0.271  0.271  1.0
  B  B26  1  0.271  0.271  0.729  1.0
  B  B27  1  0.729  0.271  0.729  1.0
  B  B28  1  0.271  0.729  0.729  1.0
[/CIF]
.