The material structure described by Zr9Ni11 crystallizes in the tetragonal I4/m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Ni(1) and eight equivalent Ni(3) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to one Ni(1), two equivalent Ni(2), and six equivalent Ni(3) atoms. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2) and six equivalent Ni(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to two equivalent Zr(1) and four equivalent Zr(2) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to four equivalent Zr(2) and four equivalent Zr(3) atoms. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Zr(1), three equivalent Zr(2), and three equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_Zr9Ni11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.773
_cell_length_b   7.773
_cell_length_c   7.773
_cell_angle_alpha   99.992
_cell_angle_beta   99.992
_cell_angle_gamma   130.768
_symmetry_Int_Tables_number   1
_cell_volume   323.314
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.248  0.585  0.832  1.0
  Zr  Zr2  1  0.415  0.248  0.663  1.0
  Zr  Zr3  1  0.585  0.752  0.337  1.0
  Zr  Zr4  1  0.752  0.415  0.168  1.0
  Zr  Zr5  1  0.311  0.909  0.221  1.0
  Zr  Zr6  1  0.091  0.311  0.402  1.0
  Zr  Zr7  1  0.909  0.689  0.598  1.0
  Zr  Zr8  1  0.689  0.091  0.779  1.0
  Ni  Ni9  1  0.500  0.500  0.000  1.0
  Ni  Ni10  1  0.750  0.250  0.500  1.0
  Ni  Ni11  1  0.250  0.750  0.500  1.0
  Ni  Ni12  1  0.325  0.982  0.895  1.0
  Ni  Ni13  1  0.429  0.325  0.343  1.0
  Ni  Ni14  1  0.982  0.087  0.657  1.0
  Ni  Ni15  1  0.087  0.429  0.105  1.0
  Ni  Ni16  1  0.675  0.018  0.105  1.0
  Ni  Ni17  1  0.571  0.675  0.657  1.0
  Ni  Ni18  1  0.018  0.913  0.343  1.0
  Ni  Ni19  1  0.913  0.571  0.895  1.0
[/CIF]
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The material structure described by Zr9Ni11 crystallizes in the tetragonal I4/m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to two equivalent Ni(1) and eight equivalent Ni(3) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to one Ni(1), two equivalent Ni(2), and six equivalent Ni(3) atoms. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2) and six equivalent Ni(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to two equivalent Zr(1) and four equivalent Zr(2) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to four equivalent Zr(2) and four equivalent Zr(3) atoms. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Zr(1), three equivalent Zr(2), and three equivalent Zr(3) atoms. is represented by the CIF card [CIF]
data_Zr9Ni11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.773
_cell_length_b   7.773
_cell_length_c   7.773
_cell_angle_alpha   99.992
_cell_angle_beta   99.992
_cell_angle_gamma   130.768
_symmetry_Int_Tables_number   1
_cell_volume   323.314
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.248  0.585  0.832  1.0
  Zr  Zr2  1  0.415  0.248  0.663  1.0
  Zr  Zr3  1  0.585  0.752  0.337  1.0
  Zr  Zr4  1  0.752  0.415  0.168  1.0
  Zr  Zr5  1  0.311  0.909  0.221  1.0
  Zr  Zr6  1  0.091  0.311  0.402  1.0
  Zr  Zr7  1  0.909  0.689  0.598  1.0
  Zr  Zr8  1  0.689  0.091  0.779  1.0
  Ni  Ni9  1  0.500  0.500  0.000  1.0
  Ni  Ni10  1  0.750  0.250  0.500  1.0
  Ni  Ni11  1  0.250  0.750  0.500  1.0
  Ni  Ni12  1  0.325  0.982  0.895  1.0
  Ni  Ni13  1  0.429  0.325  0.343  1.0
  Ni  Ni14  1  0.982  0.087  0.657  1.0
  Ni  Ni15  1  0.087  0.429  0.105  1.0
  Ni  Ni16  1  0.675  0.018  0.105  1.0
  Ni  Ni17  1  0.571  0.675  0.657  1.0
  Ni  Ni18  1  0.018  0.913  0.343  1.0
  Ni  Ni19  1  0.913  0.571  0.895  1.0
[/CIF]
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