The compound described by In(Ni11B3)2 crystallizes in the cubic F-43m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2), one In(1), and two equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded to twelve equivalent Ni(1) atoms to form NiNi12 cuboctahedra that share faces with four equivalent In(1)Ni16 tetrahedra. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one Ni(5) and three equivalent B(1) atoms. In the fourth Ni site, Ni(4) is bonded in a 4-coordinate geometry to one In(1) and three equivalent B(1) atoms. In the fifth Ni site, Ni(5) is bonded in a tetrahedral geometry to four equivalent Ni(3) atoms. In(1) is bonded to four equivalent Ni(4) and twelve equivalent Ni(1) atoms to form distorted InNi16 tetrahedra that share faces with four equivalent Ni(2)Ni12 cuboctahedra. B(1) is bonded in a 8-coordinate geometry to two equivalent Ni(3), two equivalent Ni(4), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In(Ni11B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.399
_cell_length_b   7.399
_cell_length_c   7.399
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   286.454
_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
  In  In0  1  0.750  0.750  0.750  1.0
  Ni  Ni1  1  0.002  0.002  0.335  1.0
  Ni  Ni2  1  0.661  0.002  0.335  1.0
  Ni  Ni3  1  0.002  0.661  0.335  1.0
  Ni  Ni4  1  0.661  0.335  0.002  1.0
  Ni  Ni5  1  0.002  0.335  0.002  1.0
  Ni  Ni6  1  0.002  0.335  0.661  1.0
  Ni  Ni7  1  0.335  0.661  0.002  1.0
  Ni  Ni8  1  0.335  0.002  0.661  1.0
  Ni  Ni9  1  0.335  0.002  0.002  1.0
  Ni  Ni10  1  0.002  0.002  0.661  1.0
  Ni  Ni11  1  0.002  0.661  0.002  1.0
  Ni  Ni12  1  0.661  0.002  0.002  1.0
  Ni  Ni13  1  0.000  0.000  0.000  1.0
  Ni  Ni14  1  0.862  0.379  0.379  1.0
  Ni  Ni15  1  0.379  0.862  0.379  1.0
  Ni  Ni16  1  0.379  0.379  0.379  1.0
  Ni  Ni17  1  0.379  0.379  0.862  1.0
  Ni  Ni18  1  0.168  0.611  0.611  1.0
  Ni  Ni19  1  0.611  0.168  0.611  1.0
  Ni  Ni20  1  0.611  0.611  0.611  1.0
  Ni  Ni21  1  0.611  0.611  0.168  1.0
  Ni  Ni22  1  0.250  0.250  0.250  1.0
  B  B23  1  0.273  0.727  0.273  1.0
  B  B24  1  0.727  0.273  0.273  1.0
  B  B25  1  0.727  0.727  0.273  1.0
  B  B26  1  0.727  0.273  0.727  1.0
  B  B27  1  0.273  0.273  0.727  1.0
  B  B28  1  0.273  0.727  0.727  1.0
[/CIF]
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The compound described by In(Ni11B3)2 crystallizes in the cubic F-43m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2), one In(1), and two equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded to twelve equivalent Ni(1) atoms to form NiNi12 cuboctahedra that share faces with four equivalent In(1)Ni16 tetrahedra. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one Ni(5) and three equivalent B(1) atoms. In the fourth Ni site, Ni(4) is bonded in a 4-coordinate geometry to one In(1) and three equivalent B(1) atoms. In the fifth Ni site, Ni(5) is bonded in a tetrahedral geometry to four equivalent Ni(3) atoms. In(1) is bonded to four equivalent Ni(4) and twelve equivalent Ni(1) atoms to form distorted InNi16 tetrahedra that share faces with four equivalent Ni(2)Ni12 cuboctahedra. B(1) is bonded in a 8-coordinate geometry to two equivalent Ni(3), two equivalent Ni(4), and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In(Ni11B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.399
_cell_length_b   7.399
_cell_length_c   7.399
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   286.454
_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
  In  In0  1  0.750  0.750  0.750  1.0
  Ni  Ni1  1  0.002  0.002  0.335  1.0
  Ni  Ni2  1  0.661  0.002  0.335  1.0
  Ni  Ni3  1  0.002  0.661  0.335  1.0
  Ni  Ni4  1  0.661  0.335  0.002  1.0
  Ni  Ni5  1  0.002  0.335  0.002  1.0
  Ni  Ni6  1  0.002  0.335  0.661  1.0
  Ni  Ni7  1  0.335  0.661  0.002  1.0
  Ni  Ni8  1  0.335  0.002  0.661  1.0
  Ni  Ni9  1  0.335  0.002  0.002  1.0
  Ni  Ni10  1  0.002  0.002  0.661  1.0
  Ni  Ni11  1  0.002  0.661  0.002  1.0
  Ni  Ni12  1  0.661  0.002  0.002  1.0
  Ni  Ni13  1  0.000  0.000  0.000  1.0
  Ni  Ni14  1  0.862  0.379  0.379  1.0
  Ni  Ni15  1  0.379  0.862  0.379  1.0
  Ni  Ni16  1  0.379  0.379  0.379  1.0
  Ni  Ni17  1  0.379  0.379  0.862  1.0
  Ni  Ni18  1  0.168  0.611  0.611  1.0
  Ni  Ni19  1  0.611  0.168  0.611  1.0
  Ni  Ni20  1  0.611  0.611  0.611  1.0
  Ni  Ni21  1  0.611  0.611  0.168  1.0
  Ni  Ni22  1  0.250  0.250  0.250  1.0
  B  B23  1  0.273  0.727  0.273  1.0
  B  B24  1  0.727  0.273  0.273  1.0
  B  B25  1  0.727  0.727  0.273  1.0
  B  B26  1  0.727  0.273  0.727  1.0
  B  B27  1  0.273  0.273  0.727  1.0
  B  B28  1  0.273  0.727  0.727  1.0
[/CIF]
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