The material structure described by ZrNiP2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(2) atoms. Ni(1) is bonded to four equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing NiP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent P(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_ZrNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.593
_cell_length_b   3.593
_cell_length_c   8.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.572
_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  0.500  0.770  1.0
  Zr  Zr1  1  0.500  0.000  0.230  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  P  P4  1  0.500  0.500  0.000  1.0
  P  P5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.000  0.500  0.347  1.0
  P  P7  1  0.500  0.000  0.653  1.0
[/CIF]
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The material structure described by ZrNiP2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent P(1) and four equivalent P(2) atoms. Ni(1) is bonded to four equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing NiP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent P(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_ZrNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.593
_cell_length_b   3.593
_cell_length_c   8.952
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.572
_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  0.500  0.770  1.0
  Zr  Zr1  1  0.500  0.000  0.230  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  P  P4  1  0.500  0.500  0.000  1.0
  P  P5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.000  0.500  0.347  1.0
  P  P7  1  0.500  0.000  0.653  1.0
[/CIF]
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