The compound described by Zr2NiP2 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent P(1), and three equivalent P(2) atoms. Ni(1) is bonded in a distorted trigonal planar geometry to six equivalent Zr(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ni(1) atoms. In the second P site, P(1) is bonded to six equivalent Zr(1) atoms to form edge-sharing PZr6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.757
_cell_length_b   3.757
_cell_length_c   13.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   160.317
_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  0.333  0.667  0.390  1.0
  Zr  Zr1  1  0.667  0.333  0.610  1.0
  Zr  Zr2  1  0.667  0.333  0.890  1.0
  Zr  Zr3  1  0.333  0.667  0.110  1.0
  Ni  Ni4  1  0.000  0.000  0.250  1.0
  Ni  Ni5  1  0.000  0.000  0.750  1.0
  P  P6  1  0.000  0.000  0.500  1.0
  P  P7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.333  0.667  0.750  1.0
  P  P9  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Zr2NiP2 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent P(1), and three equivalent P(2) atoms. Ni(1) is bonded in a distorted trigonal planar geometry to six equivalent Zr(1) and three equivalent P(2) atoms. There are two inequivalent P sites. In the first P site, P(2) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ni(1) atoms. In the second P site, P(1) is bonded to six equivalent Zr(1) atoms to form edge-sharing PZr6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2NiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.757
_cell_length_b   3.757
_cell_length_c   13.115
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   160.317
_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  0.333  0.667  0.390  1.0
  Zr  Zr1  1  0.667  0.333  0.610  1.0
  Zr  Zr2  1  0.667  0.333  0.890  1.0
  Zr  Zr3  1  0.333  0.667  0.110  1.0
  Ni  Ni4  1  0.000  0.000  0.250  1.0
  Ni  Ni5  1  0.000  0.000  0.750  1.0
  P  P6  1  0.000  0.000  0.500  1.0
  P  P7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.333  0.667  0.750  1.0
  P  P9  1  0.667  0.333  0.250  1.0
[/CIF]
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