The structure described by Hf2(NiAs)3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(1), two equivalent Ni(3), one As(1), two equivalent As(2), and three equivalent As(3) atoms. In the second Hf site, Hf(2) is bonded in a 15-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), three equivalent Ni(3), two equivalent As(1), two equivalent As(2), and two equivalent As(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Hf(1), three equivalent Hf(2), one As(2), and three equivalent As(1) atoms to form distorted face-sharing NiHf5As4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Hf(1), three equivalent Hf(2), two equivalent Ni(3), one As(1), one As(3), and two equivalent As(2) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to two equivalent Hf(1), three equivalent Hf(2), two equivalent Ni(2), one As(2), one As(3), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(2), one Ni(2), two equivalent Ni(3), and three equivalent Ni(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the third As site, As(3) is bonded in a 7-coordinate geometry to two equivalent Hf(2), three equivalent Hf(1), one Ni(2), and one Ni(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2(NiAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.710
_cell_length_b   10.301
_cell_length_c   12.616
_cell_angle_alpha   89.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.087
_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
  Hf  Hf0  1  0.250  0.330  0.995  1.0
  Hf  Hf1  1  0.250  0.169  0.495  1.0
  Hf  Hf2  1  0.750  0.670  0.005  1.0
  Hf  Hf3  1  0.750  0.831  0.505  1.0
  Hf  Hf4  1  0.250  0.429  0.711  1.0
  Hf  Hf5  1  0.250  0.071  0.211  1.0
  Hf  Hf6  1  0.750  0.571  0.289  1.0
  Hf  Hf7  1  0.750  0.929  0.789  1.0
  Ni  Ni8  1  0.250  0.903  0.985  1.0
  Ni  Ni9  1  0.250  0.596  0.485  1.0
  Ni  Ni10  1  0.750  0.096  0.015  1.0
  Ni  Ni11  1  0.750  0.404  0.515  1.0
  Ni  Ni12  1  0.250  0.138  0.716  1.0
  Ni  Ni13  1  0.250  0.362  0.216  1.0
  Ni  Ni14  1  0.750  0.862  0.284  1.0
  Ni  Ni15  1  0.750  0.638  0.784  1.0
  Ni  Ni16  1  0.250  0.776  0.166  1.0
  Ni  Ni17  1  0.250  0.724  0.666  1.0
  Ni  Ni18  1  0.750  0.224  0.834  1.0
  Ni  Ni19  1  0.750  0.277  0.335  1.0
  As  As20  1  0.250  0.100  0.897  1.0
  As  As21  1  0.250  0.400  0.397  1.0
  As  As22  1  0.750  0.900  0.103  1.0
  As  As23  1  0.750  0.600  0.603  1.0
  As  As24  1  0.250  0.741  0.856  1.0
  As  As25  1  0.250  0.759  0.356  1.0
  As  As26  1  0.750  0.259  0.144  1.0
  As  As27  1  0.750  0.241  0.644  1.0
  As  As28  1  0.250  0.554  0.124  1.0
  As  As29  1  0.250  0.946  0.624  1.0
  As  As30  1  0.750  0.446  0.876  1.0
  As  As31  1  0.750  0.054  0.376  1.0
[/CIF]
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The structure described by Hf2(NiAs)3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(1), two equivalent Ni(3), one As(1), two equivalent As(2), and three equivalent As(3) atoms. In the second Hf site, Hf(2) is bonded in a 15-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), three equivalent Ni(3), two equivalent As(1), two equivalent As(2), and two equivalent As(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Hf(1), three equivalent Hf(2), one As(2), and three equivalent As(1) atoms to form distorted face-sharing NiHf5As4 tetrahedra. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to one Hf(1), three equivalent Hf(2), two equivalent Ni(3), one As(1), one As(3), and two equivalent As(2) atoms. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to two equivalent Hf(1), three equivalent Hf(2), two equivalent Ni(2), one As(2), one As(3), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(2), one Ni(2), two equivalent Ni(3), and three equivalent Ni(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the third As site, As(3) is bonded in a 7-coordinate geometry to two equivalent Hf(2), three equivalent Hf(1), one Ni(2), and one Ni(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2(NiAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.710
_cell_length_b   10.301
_cell_length_c   12.616
_cell_angle_alpha   89.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.087
_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
  Hf  Hf0  1  0.250  0.330  0.995  1.0
  Hf  Hf1  1  0.250  0.169  0.495  1.0
  Hf  Hf2  1  0.750  0.670  0.005  1.0
  Hf  Hf3  1  0.750  0.831  0.505  1.0
  Hf  Hf4  1  0.250  0.429  0.711  1.0
  Hf  Hf5  1  0.250  0.071  0.211  1.0
  Hf  Hf6  1  0.750  0.571  0.289  1.0
  Hf  Hf7  1  0.750  0.929  0.789  1.0
  Ni  Ni8  1  0.250  0.903  0.985  1.0
  Ni  Ni9  1  0.250  0.596  0.485  1.0
  Ni  Ni10  1  0.750  0.096  0.015  1.0
  Ni  Ni11  1  0.750  0.404  0.515  1.0
  Ni  Ni12  1  0.250  0.138  0.716  1.0
  Ni  Ni13  1  0.250  0.362  0.216  1.0
  Ni  Ni14  1  0.750  0.862  0.284  1.0
  Ni  Ni15  1  0.750  0.638  0.784  1.0
  Ni  Ni16  1  0.250  0.776  0.166  1.0
  Ni  Ni17  1  0.250  0.724  0.666  1.0
  Ni  Ni18  1  0.750  0.224  0.834  1.0
  Ni  Ni19  1  0.750  0.277  0.335  1.0
  As  As20  1  0.250  0.100  0.897  1.0
  As  As21  1  0.250  0.400  0.397  1.0
  As  As22  1  0.750  0.900  0.103  1.0
  As  As23  1  0.750  0.600  0.603  1.0
  As  As24  1  0.250  0.741  0.856  1.0
  As  As25  1  0.250  0.759  0.356  1.0
  As  As26  1  0.750  0.259  0.144  1.0
  As  As27  1  0.750  0.241  0.644  1.0
  As  As28  1  0.250  0.554  0.124  1.0
  As  As29  1  0.250  0.946  0.624  1.0
  As  As30  1  0.750  0.446  0.876  1.0
  As  As31  1  0.750  0.054  0.376  1.0
[/CIF]
.