The material described by Ni2Zn11 crystallizes in the cubic I-43m space group. Ni(1) is bonded in a distorted q6 geometry to three equivalent Zn(1), three equivalent Zn(2), and six equivalent Zn(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. In the second Zn site, Zn(3) is bonded in a 2-coordinate geometry to two equivalent Ni(1), one Zn(1), and four equivalent Zn(2) atoms. In the third Zn site, Zn(2) is bonded in a 13-coordinate geometry to two equivalent Ni(1), one Zn(2), two equivalent Zn(1), and eight equivalent Zn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn11Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.640
_cell_length_b   7.640
_cell_length_c   7.640
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   343.348
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.210  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.210  0.000  1.0
  Zn  Zn2  1  0.000  0.000  0.210  1.0
  Zn  Zn3  1  0.790  0.790  0.790  1.0
  Zn  Zn4  1  0.000  0.645  0.645  1.0
  Zn  Zn5  1  0.355  0.000  0.355  1.0
  Zn  Zn6  1  0.355  0.355  0.000  1.0
  Zn  Zn7  1  0.000  0.355  0.355  1.0
  Zn  Zn8  1  0.645  0.000  0.645  1.0
  Zn  Zn9  1  0.645  0.645  0.000  1.0
  Zn  Zn10  1  0.351  0.737  0.000  1.0
  Zn  Zn11  1  0.614  0.263  0.263  1.0
  Zn  Zn12  1  0.351  0.000  0.737  1.0
  Zn  Zn13  1  0.737  0.351  0.000  1.0
  Zn  Zn14  1  0.000  0.351  0.737  1.0
  Zn  Zn15  1  0.263  0.614  0.263  1.0
  Zn  Zn16  1  0.263  0.263  0.614  1.0
  Zn  Zn17  1  0.000  0.737  0.351  1.0
  Zn  Zn18  1  0.737  0.000  0.351  1.0
  Zn  Zn19  1  0.649  0.649  0.386  1.0
  Zn  Zn20  1  0.386  0.649  0.649  1.0
  Zn  Zn21  1  0.649  0.386  0.649  1.0
  Ni  Ni22  1  0.657  0.000  0.000  1.0
  Ni  Ni23  1  0.000  0.657  0.000  1.0
  Ni  Ni24  1  0.000  0.000  0.657  1.0
  Ni  Ni25  1  0.343  0.343  0.343  1.0
[/CIF]
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The material described by Ni2Zn11 crystallizes in the cubic I-43m space group. Ni(1) is bonded in a distorted q6 geometry to three equivalent Zn(1), three equivalent Zn(2), and six equivalent Zn(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. In the second Zn site, Zn(3) is bonded in a 2-coordinate geometry to two equivalent Ni(1), one Zn(1), and four equivalent Zn(2) atoms. In the third Zn site, Zn(2) is bonded in a 13-coordinate geometry to two equivalent Ni(1), one Zn(2), two equivalent Zn(1), and eight equivalent Zn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn11Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.640
_cell_length_b   7.640
_cell_length_c   7.640
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   343.348
_cell_formula_units_Z   2
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
  Zn  Zn0  1  0.210  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.210  0.000  1.0
  Zn  Zn2  1  0.000  0.000  0.210  1.0
  Zn  Zn3  1  0.790  0.790  0.790  1.0
  Zn  Zn4  1  0.000  0.645  0.645  1.0
  Zn  Zn5  1  0.355  0.000  0.355  1.0
  Zn  Zn6  1  0.355  0.355  0.000  1.0
  Zn  Zn7  1  0.000  0.355  0.355  1.0
  Zn  Zn8  1  0.645  0.000  0.645  1.0
  Zn  Zn9  1  0.645  0.645  0.000  1.0
  Zn  Zn10  1  0.351  0.737  0.000  1.0
  Zn  Zn11  1  0.614  0.263  0.263  1.0
  Zn  Zn12  1  0.351  0.000  0.737  1.0
  Zn  Zn13  1  0.737  0.351  0.000  1.0
  Zn  Zn14  1  0.000  0.351  0.737  1.0
  Zn  Zn15  1  0.263  0.614  0.263  1.0
  Zn  Zn16  1  0.263  0.263  0.614  1.0
  Zn  Zn17  1  0.000  0.737  0.351  1.0
  Zn  Zn18  1  0.737  0.000  0.351  1.0
  Zn  Zn19  1  0.649  0.649  0.386  1.0
  Zn  Zn20  1  0.386  0.649  0.649  1.0
  Zn  Zn21  1  0.649  0.386  0.649  1.0
  Ni  Ni22  1  0.657  0.000  0.000  1.0
  Ni  Ni23  1  0.000  0.657  0.000  1.0
  Ni  Ni24  1  0.000  0.000  0.657  1.0
  Ni  Ni25  1  0.343  0.343  0.343  1.0
[/CIF]
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