The structure described by Zr9(NiP2)2 crystallizes in the tetragonal P4/mbm space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a square co-planar geometry to four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a distorted hexagonal planar geometry to two equivalent Ni(1) and four equivalent P(1) atoms. In the third Zr site, Zr(3) is bonded in a T-shaped geometry to one Ni(1) and two equivalent P(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent Ni(1) and four equivalent P(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(4), four equivalent Zr(2), and two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(3), two equivalent Zr(4), four equivalent Zr(2), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr9(NiP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.043
_cell_length_b   12.043
_cell_length_c   3.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   535.540
_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
  Zr  Zr0  1  0.000  1.000  1.000  1.0
  Zr  Zr1  1  0.500  0.500  0.000  1.0
  Zr  Zr2  1  0.103  0.182  0.500  1.0
  Zr  Zr3  1  0.182  0.897  0.500  1.0
  Zr  Zr4  1  0.818  0.103  0.500  1.0
  Zr  Zr5  1  0.897  0.818  0.500  1.0
  Zr  Zr6  1  0.397  0.682  0.500  1.0
  Zr  Zr7  1  0.603  0.318  0.500  1.0
  Zr  Zr8  1  0.682  0.603  0.500  1.0
  Zr  Zr9  1  0.318  0.397  0.500  1.0
  Zr  Zr10  1  0.096  0.404  0.000  1.0
  Zr  Zr11  1  0.404  0.904  1.000  1.0
  Zr  Zr12  1  0.596  0.096  1.000  1.0
  Zr  Zr13  1  0.904  0.596  1.000  1.0
  Zr  Zr14  1  0.380  0.120  0.500  1.0
  Zr  Zr15  1  0.120  0.620  0.500  1.0
  Zr  Zr16  1  0.880  0.380  0.500  1.0
  Zr  Zr17  1  0.620  0.880  0.500  1.0
  Ni  Ni18  1  0.254  0.246  1.000  1.0
  Ni  Ni19  1  0.246  0.746  0.000  1.0
  Ni  Ni20  1  0.754  0.254  1.000  1.0
  Ni  Ni21  1  0.746  0.754  0.000  1.0
  P  P22  1  0.224  0.057  0.000  1.0
  P  P23  1  0.057  0.776  1.000  1.0
  P  P24  1  0.943  0.224  0.000  1.0
  P  P25  1  0.776  0.943  1.000  1.0
  P  P26  1  0.276  0.557  0.000  1.0
  P  P27  1  0.724  0.443  1.000  1.0
  P  P28  1  0.557  0.724  1.000  1.0
  P  P29  1  0.443  0.276  1.000  1.0
[/CIF]
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The structure described by Zr9(NiP2)2 crystallizes in the tetragonal P4/mbm space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a square co-planar geometry to four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a distorted hexagonal planar geometry to two equivalent Ni(1) and four equivalent P(1) atoms. In the third Zr site, Zr(3) is bonded in a T-shaped geometry to one Ni(1) and two equivalent P(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent Ni(1) and four equivalent P(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Zr(3), two equivalent Zr(4), four equivalent Zr(2), and two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Zr(1), one Zr(3), two equivalent Zr(4), four equivalent Zr(2), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr9(NiP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.043
_cell_length_b   12.043
_cell_length_c   3.693
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   535.540
_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
  Zr  Zr0  1  0.000  1.000  1.000  1.0
  Zr  Zr1  1  0.500  0.500  0.000  1.0
  Zr  Zr2  1  0.103  0.182  0.500  1.0
  Zr  Zr3  1  0.182  0.897  0.500  1.0
  Zr  Zr4  1  0.818  0.103  0.500  1.0
  Zr  Zr5  1  0.897  0.818  0.500  1.0
  Zr  Zr6  1  0.397  0.682  0.500  1.0
  Zr  Zr7  1  0.603  0.318  0.500  1.0
  Zr  Zr8  1  0.682  0.603  0.500  1.0
  Zr  Zr9  1  0.318  0.397  0.500  1.0
  Zr  Zr10  1  0.096  0.404  0.000  1.0
  Zr  Zr11  1  0.404  0.904  1.000  1.0
  Zr  Zr12  1  0.596  0.096  1.000  1.0
  Zr  Zr13  1  0.904  0.596  1.000  1.0
  Zr  Zr14  1  0.380  0.120  0.500  1.0
  Zr  Zr15  1  0.120  0.620  0.500  1.0
  Zr  Zr16  1  0.880  0.380  0.500  1.0
  Zr  Zr17  1  0.620  0.880  0.500  1.0
  Ni  Ni18  1  0.254  0.246  1.000  1.0
  Ni  Ni19  1  0.246  0.746  0.000  1.0
  Ni  Ni20  1  0.754  0.254  1.000  1.0
  Ni  Ni21  1  0.746  0.754  0.000  1.0
  P  P22  1  0.224  0.057  0.000  1.0
  P  P23  1  0.057  0.776  1.000  1.0
  P  P24  1  0.943  0.224  0.000  1.0
  P  P25  1  0.776  0.943  1.000  1.0
  P  P26  1  0.276  0.557  0.000  1.0
  P  P27  1  0.724  0.443  1.000  1.0
  P  P28  1  0.557  0.724  1.000  1.0
  P  P29  1  0.443  0.276  1.000  1.0
[/CIF]
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