The compound described by ZrNiAs crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1) and five equivalent As(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to five equivalent Zr(1) and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.878
_cell_length_b   6.503
_cell_length_c   7.286
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.713
_cell_formula_units_Z   4
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  0.250  0.488  0.188  1.0
  Zr  Zr1  1  0.750  0.512  0.812  1.0
  Zr  Zr2  1  0.750  0.012  0.688  1.0
  Zr  Zr3  1  0.250  0.988  0.312  1.0
  Ni  Ni4  1  0.250  0.834  0.925  1.0
  Ni  Ni5  1  0.750  0.166  0.075  1.0
  Ni  Ni6  1  0.750  0.666  0.425  1.0
  Ni  Ni7  1  0.250  0.334  0.575  1.0
  As  As8  1  0.250  0.716  0.604  1.0
  As  As9  1  0.750  0.284  0.396  1.0
  As  As10  1  0.750  0.784  0.104  1.0
  As  As11  1  0.250  0.216  0.896  1.0
[/CIF]
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The compound described by ZrNiAs crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1) and five equivalent As(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1) and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to five equivalent Zr(1) and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.878
_cell_length_b   6.503
_cell_length_c   7.286
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.713
_cell_formula_units_Z   4
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  0.250  0.488  0.188  1.0
  Zr  Zr1  1  0.750  0.512  0.812  1.0
  Zr  Zr2  1  0.750  0.012  0.688  1.0
  Zr  Zr3  1  0.250  0.988  0.312  1.0
  Ni  Ni4  1  0.250  0.834  0.925  1.0
  Ni  Ni5  1  0.750  0.166  0.075  1.0
  Ni  Ni6  1  0.750  0.666  0.425  1.0
  Ni  Ni7  1  0.250  0.334  0.575  1.0
  As  As8  1  0.250  0.716  0.604  1.0
  As  As9  1  0.750  0.284  0.396  1.0
  As  As10  1  0.750  0.784  0.104  1.0
  As  As11  1  0.250  0.216  0.896  1.0
[/CIF]
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