The structure described by Hf8Ni4N crystallizes in the orthorhombic Imma space group. There are five inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1), two equivalent Ni(2), and two equivalent N(1) atoms. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms. In the third Hf site, Hf(3) is bonded in a distorted single-bond geometry to two equivalent Ni(1), two equivalent Ni(2), and one N(1) atom. In the fourth Hf site, Hf(4) is bonded in a 6-coordinate geometry to two equivalent Ni(1) and four equivalent Ni(2) atoms. In the fifth Hf site, Hf(5) is bonded in a 6-coordinate geometry to two equivalent Ni(2) and four equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(4), two equivalent Hf(5), and four equivalent Hf(3) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(5), two equivalent Hf(4), and four equivalent Hf(3) atoms. N(1) is bonded to two equivalent Hf(1) and four equivalent Hf(3) atoms to form corner-sharing NHf6 octahedra. The corner-sharing octahedral tilt angles are 37°. is represented by the CIF file [CIF]
data_Hf8Ni4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.540
_cell_length_b   8.540
_cell_length_c   8.540
_cell_angle_alpha   120.082
_cell_angle_beta   119.844
_cell_angle_gamma   90.064
_symmetry_Int_Tables_number   1
_cell_volume   440.594
_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
  Hf  Hf0  1  0.941  0.191  0.750  1.0
  Hf  Hf1  1  0.312  0.562  0.750  1.0
  Hf  Hf2  1  0.939  0.562  0.754  1.0
  Hf  Hf3  1  0.308  0.185  0.746  1.0
  Hf  Hf4  1  0.939  0.185  0.377  1.0
  Hf  Hf5  1  0.308  0.562  0.123  1.0
  Hf  Hf6  1  0.059  0.809  0.250  1.0
  Hf  Hf7  1  0.688  0.438  0.250  1.0
  Hf  Hf8  1  0.061  0.438  0.246  1.0
  Hf  Hf9  1  0.692  0.815  0.254  1.0
  Hf  Hf10  1  0.061  0.815  0.623  1.0
  Hf  Hf11  1  0.692  0.438  0.877  1.0
  Hf  Hf12  1  0.500  0.000  0.000  1.0
  Hf  Hf13  1  0.500  0.500  0.500  1.0
  Hf  Hf14  1  0.500  0.000  0.500  1.0
  Hf  Hf15  1  0.000  0.000  0.000  1.0
  Ni  Ni16  1  0.719  0.775  0.556  1.0
  Ni  Ni17  1  0.719  0.163  0.944  1.0
  Ni  Ni18  1  0.714  0.780  0.934  1.0
  Ni  Ni19  1  0.345  0.780  0.566  1.0
  Ni  Ni20  1  0.281  0.225  0.444  1.0
  Ni  Ni21  1  0.281  0.837  0.056  1.0
  Ni  Ni22  1  0.286  0.220  0.066  1.0
  Ni  Ni23  1  0.655  0.220  0.434  1.0
  N  N24  1  0.000  0.500  0.000  1.0
  N  N25  1  0.000  0.000  0.500  1.0
[/CIF]
.
The structure described by Hf8Ni4N crystallizes in the orthorhombic Imma space group. There are five inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1), two equivalent Ni(2), and two equivalent N(1) atoms. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms. In the third Hf site, Hf(3) is bonded in a distorted single-bond geometry to two equivalent Ni(1), two equivalent Ni(2), and one N(1) atom. In the fourth Hf site, Hf(4) is bonded in a 6-coordinate geometry to two equivalent Ni(1) and four equivalent Ni(2) atoms. In the fifth Hf site, Hf(5) is bonded in a 6-coordinate geometry to two equivalent Ni(2) and four equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(4), two equivalent Hf(5), and four equivalent Hf(3) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(5), two equivalent Hf(4), and four equivalent Hf(3) atoms. N(1) is bonded to two equivalent Hf(1) and four equivalent Hf(3) atoms to form corner-sharing NHf6 octahedra. The corner-sharing octahedral tilt angles are 37°. is represented by the CIF file [CIF]
data_Hf8Ni4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.540
_cell_length_b   8.540
_cell_length_c   8.540
_cell_angle_alpha   120.082
_cell_angle_beta   119.844
_cell_angle_gamma   90.064
_symmetry_Int_Tables_number   1
_cell_volume   440.594
_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
  Hf  Hf0  1  0.941  0.191  0.750  1.0
  Hf  Hf1  1  0.312  0.562  0.750  1.0
  Hf  Hf2  1  0.939  0.562  0.754  1.0
  Hf  Hf3  1  0.308  0.185  0.746  1.0
  Hf  Hf4  1  0.939  0.185  0.377  1.0
  Hf  Hf5  1  0.308  0.562  0.123  1.0
  Hf  Hf6  1  0.059  0.809  0.250  1.0
  Hf  Hf7  1  0.688  0.438  0.250  1.0
  Hf  Hf8  1  0.061  0.438  0.246  1.0
  Hf  Hf9  1  0.692  0.815  0.254  1.0
  Hf  Hf10  1  0.061  0.815  0.623  1.0
  Hf  Hf11  1  0.692  0.438  0.877  1.0
  Hf  Hf12  1  0.500  0.000  0.000  1.0
  Hf  Hf13  1  0.500  0.500  0.500  1.0
  Hf  Hf14  1  0.500  0.000  0.500  1.0
  Hf  Hf15  1  0.000  0.000  0.000  1.0
  Ni  Ni16  1  0.719  0.775  0.556  1.0
  Ni  Ni17  1  0.719  0.163  0.944  1.0
  Ni  Ni18  1  0.714  0.780  0.934  1.0
  Ni  Ni19  1  0.345  0.780  0.566  1.0
  Ni  Ni20  1  0.281  0.225  0.444  1.0
  Ni  Ni21  1  0.281  0.837  0.056  1.0
  Ni  Ni22  1  0.286  0.220  0.066  1.0
  Ni  Ni23  1  0.655  0.220  0.434  1.0
  N  N24  1  0.000  0.500  0.000  1.0
  N  N25  1  0.000  0.000  0.500  1.0
[/CIF]
.