The material described by Zr2NiP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to three equivalent Ni(1) and four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to four equivalent Ni(1) and three equivalent P(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1), four equivalent Zr(2), and two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2), four equivalent Zr(1), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Zr2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.632
_cell_length_b   5.244
_cell_length_c   7.501
_cell_angle_alpha   110.861
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.500
_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  0.750  0.209  0.924  1.0
  Zr  Zr1  1  0.250  0.791  0.076  1.0
  Zr  Zr2  1  0.750  0.211  0.431  1.0
  Zr  Zr3  1  0.250  0.789  0.569  1.0
  Ni  Ni4  1  0.750  0.643  0.292  1.0
  Ni  Ni5  1  0.250  0.357  0.708  1.0
  P  P6  1  0.750  0.645  0.789  1.0
  P  P7  1  0.250  0.355  0.211  1.0
[/CIF]
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The material described by Zr2NiP is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to three equivalent Ni(1) and four equivalent P(1) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to four equivalent Ni(1) and three equivalent P(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1), four equivalent Zr(2), and two equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2), four equivalent Zr(1), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Zr2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.632
_cell_length_b   5.244
_cell_length_c   7.501
_cell_angle_alpha   110.861
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   133.500
_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  0.750  0.209  0.924  1.0
  Zr  Zr1  1  0.250  0.791  0.076  1.0
  Zr  Zr2  1  0.750  0.211  0.431  1.0
  Zr  Zr3  1  0.250  0.789  0.569  1.0
  Ni  Ni4  1  0.750  0.643  0.292  1.0
  Ni  Ni5  1  0.250  0.357  0.708  1.0
  P  P6  1  0.750  0.645  0.789  1.0
  P  P7  1  0.250  0.355  0.211  1.0
[/CIF]
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