The compound described by Zr10NiSnSb4 crystallizes in the tetragonal I422 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Ni(1), one Sn(1), and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Sb(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(1) and two equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(1) and two equivalent Ni(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Zr(2) and eight equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr10NiSnSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.561
_cell_length_b   8.384
_cell_length_c   8.384
_cell_angle_alpha   96.315
_cell_angle_beta   109.368
_cell_angle_gamma   70.632
_symmetry_Int_Tables_number   1
_cell_volume   347.851
_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
  Zr  Zr0  1  0.433  0.860  0.707  1.0
  Zr  Zr1  1  0.586  0.140  0.293  1.0
  Zr  Zr2  1  0.914  0.293  0.140  1.0
  Zr  Zr3  1  0.067  0.707  0.860  1.0
  Zr  Zr4  1  0.726  0.707  0.140  1.0
  Zr  Zr5  1  0.293  0.293  0.860  1.0
  Zr  Zr6  1  0.774  0.140  0.707  1.0
  Zr  Zr7  1  0.207  0.860  0.293  1.0
  Zr  Zr8  1  0.250  0.500  0.500  1.0
  Zr  Zr9  1  0.750  0.500  0.500  1.0
  Ni  Ni10  1  0.750  0.000  0.000  1.0
  Sn  Sn11  1  0.250  0.000  0.000  1.0
  Sb  Sb12  1  0.336  0.500  0.173  1.0
  Sb  Sb13  1  0.664  0.500  0.827  1.0
  Sb  Sb14  1  0.836  0.827  0.500  1.0
  Sb  Sb15  1  0.164  0.173  0.500  1.0
[/CIF]
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The compound described by Zr10NiSnSb4 crystallizes in the tetragonal I422 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to one Ni(1), one Sn(1), and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Zr(2) and four equivalent Sb(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(1) and two equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(1) and two equivalent Ni(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Zr(2) and eight equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr10NiSnSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.561
_cell_length_b   8.384
_cell_length_c   8.384
_cell_angle_alpha   96.315
_cell_angle_beta   109.368
_cell_angle_gamma   70.632
_symmetry_Int_Tables_number   1
_cell_volume   347.851
_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
  Zr  Zr0  1  0.433  0.860  0.707  1.0
  Zr  Zr1  1  0.586  0.140  0.293  1.0
  Zr  Zr2  1  0.914  0.293  0.140  1.0
  Zr  Zr3  1  0.067  0.707  0.860  1.0
  Zr  Zr4  1  0.726  0.707  0.140  1.0
  Zr  Zr5  1  0.293  0.293  0.860  1.0
  Zr  Zr6  1  0.774  0.140  0.707  1.0
  Zr  Zr7  1  0.207  0.860  0.293  1.0
  Zr  Zr8  1  0.250  0.500  0.500  1.0
  Zr  Zr9  1  0.750  0.500  0.500  1.0
  Ni  Ni10  1  0.750  0.000  0.000  1.0
  Sn  Sn11  1  0.250  0.000  0.000  1.0
  Sb  Sb12  1  0.336  0.500  0.173  1.0
  Sb  Sb13  1  0.664  0.500  0.827  1.0
  Sb  Sb14  1  0.836  0.827  0.500  1.0
  Sb  Sb15  1  0.164  0.173  0.500  1.0
[/CIF]
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