The material structure described by Ni21In2P6 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one In(1) and three equivalent P(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Ni(3), two equivalent In(1), and two equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded in a 18-coordinate geometry to twelve equivalent Ni(2) and six equivalent P(1) atoms. In(1) is bonded to four equivalent Ni(1) and twelve equivalent Ni(2) atoms to form distorted edge-sharing InNi16 tetrahedra. P(1) is bonded in a 8-coordinate geometry to one Ni(3), four equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_In2(Ni7P2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.776
_cell_length_b   7.776
_cell_length_c   7.776
_cell_angle_alpha   60.005
_cell_angle_beta   60.006
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   332.506
_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
  In  In1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.385  0.845  0.385  1.0
  Ni  Ni3  1  0.385  0.385  0.845  1.0
  Ni  Ni4  1  0.348  1.000  0.652  1.0
  Ni  Ni5  1  0.000  0.348  0.652  1.0
  Ni  Ni6  1  0.155  0.615  0.615  1.0
  Ni  Ni7  1  0.652  0.000  0.000  1.0
  Ni  Ni8  1  0.845  0.385  0.385  1.0
  Ni  Ni9  1  0.652  0.348  0.000  1.0
  Ni  Ni10  1  0.000  0.348  0.000  1.0
  Ni  Ni11  1  0.348  0.652  1.000  1.0
  Ni  Ni12  1  1.000  1.000  0.348  1.0
  Ni  Ni13  1  0.615  0.155  0.615  1.0
  Ni  Ni14  1  0.652  1.000  0.348  1.0
  Ni  Ni15  1  0.000  0.652  0.000  1.0
  Ni  Ni16  1  0.615  0.615  0.155  1.0
  Ni  Ni17  1  0.000  1.000  0.000  1.0
  Ni  Ni18  1  1.000  0.652  0.348  1.0
  Ni  Ni19  1  0.348  1.000  1.000  1.0
  Ni  Ni20  1  0.000  0.000  0.652  1.0
  Ni  Ni21  1  0.385  0.385  0.385  1.0
  Ni  Ni22  1  0.615  0.615  0.615  1.0
  P  P23  1  0.262  0.262  0.738  1.0
  P  P24  1  0.262  0.738  0.262  1.0
  P  P25  1  0.738  0.262  0.262  1.0
  P  P26  1  0.262  0.738  0.738  1.0
  P  P27  1  0.738  0.262  0.738  1.0
  P  P28  1  0.738  0.738  0.262  1.0
[/CIF]
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The material structure described by Ni21In2P6 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to one In(1) and three equivalent P(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Ni(3), two equivalent In(1), and two equivalent P(1) atoms. In the third Ni site, Ni(3) is bonded in a 18-coordinate geometry to twelve equivalent Ni(2) and six equivalent P(1) atoms. In(1) is bonded to four equivalent Ni(1) and twelve equivalent Ni(2) atoms to form distorted edge-sharing InNi16 tetrahedra. P(1) is bonded in a 8-coordinate geometry to one Ni(3), four equivalent Ni(1), and four equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_In2(Ni7P2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.776
_cell_length_b   7.776
_cell_length_c   7.776
_cell_angle_alpha   60.005
_cell_angle_beta   60.006
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   332.506
_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
  In  In1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.385  0.845  0.385  1.0
  Ni  Ni3  1  0.385  0.385  0.845  1.0
  Ni  Ni4  1  0.348  1.000  0.652  1.0
  Ni  Ni5  1  0.000  0.348  0.652  1.0
  Ni  Ni6  1  0.155  0.615  0.615  1.0
  Ni  Ni7  1  0.652  0.000  0.000  1.0
  Ni  Ni8  1  0.845  0.385  0.385  1.0
  Ni  Ni9  1  0.652  0.348  0.000  1.0
  Ni  Ni10  1  0.000  0.348  0.000  1.0
  Ni  Ni11  1  0.348  0.652  1.000  1.0
  Ni  Ni12  1  1.000  1.000  0.348  1.0
  Ni  Ni13  1  0.615  0.155  0.615  1.0
  Ni  Ni14  1  0.652  1.000  0.348  1.0
  Ni  Ni15  1  0.000  0.652  0.000  1.0
  Ni  Ni16  1  0.615  0.615  0.155  1.0
  Ni  Ni17  1  0.000  1.000  0.000  1.0
  Ni  Ni18  1  1.000  0.652  0.348  1.0
  Ni  Ni19  1  0.348  1.000  1.000  1.0
  Ni  Ni20  1  0.000  0.000  0.652  1.0
  Ni  Ni21  1  0.385  0.385  0.385  1.0
  Ni  Ni22  1  0.615  0.615  0.615  1.0
  P  P23  1  0.262  0.262  0.738  1.0
  P  P24  1  0.262  0.738  0.262  1.0
  P  P25  1  0.738  0.262  0.262  1.0
  P  P26  1  0.262  0.738  0.738  1.0
  P  P27  1  0.738  0.262  0.738  1.0
  P  P28  1  0.738  0.738  0.262  1.0
[/CIF]
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