The structure described by Hf3As crystallizes in the monoclinic C2/c space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted see-saw-like geometry to two equivalent As(1) and two equivalent As(2) atoms. In the second Hf site, Hf(2) is bonded in a distorted see-saw-like geometry to two equivalent As(1) and two equivalent As(2) atoms. In the third Hf site, Hf(3) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. In the fourth Hf site, Hf(4) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. In the fifth Hf site, Hf(5) is bonded in a 3-coordinate geometry to one As(1) and two equivalent As(2) atoms. In the sixth Hf site, Hf(6) is bonded in a 3-coordinate geometry to one As(2) and two equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Hf(3), one Hf(4), one Hf(5), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Hf(6) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Hf(3), one Hf(4), one Hf(6), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Hf(5) atoms. is represented by the CIF card [CIF]
data_Hf3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   8.155
_cell_length_c   15.324
_cell_angle_alpha   90.279
_cell_angle_beta   90.000
_cell_angle_gamma   109.266
_symmetry_Int_Tables_number   1
_cell_volume   634.862
_cell_formula_units_Z   8
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  0.955  0.834  0.808  1.0
  Hf  Hf1  1  0.539  0.116  0.833  1.0
  Hf  Hf2  1  0.121  0.166  0.692  1.0
  Hf  Hf3  1  0.577  0.116  0.333  1.0
  Hf  Hf4  1  0.528  0.478  0.905  1.0
  Hf  Hf5  1  0.423  0.884  0.667  1.0
  Hf  Hf6  1  0.121  0.690  0.989  1.0
  Hf  Hf7  1  0.297  0.099  0.017  1.0
  Hf  Hf8  1  0.879  0.310  0.011  1.0
  Hf  Hf9  1  0.431  0.310  0.511  1.0
  Hf  Hf10  1  0.472  0.522  0.095  1.0
  Hf  Hf11  1  0.569  0.690  0.489  1.0
  Hf  Hf12  1  0.470  0.468  0.301  1.0
  Hf  Hf13  1  0.530  0.532  0.699  1.0
  Hf  Hf14  1  0.703  0.901  0.983  1.0
  Hf  Hf15  1  0.050  0.522  0.595  1.0
  Hf  Hf16  1  0.879  0.834  0.308  1.0
  Hf  Hf17  1  0.802  0.099  0.517  1.0
  Hf  Hf18  1  0.198  0.901  0.483  1.0
  Hf  Hf19  1  0.045  0.166  0.192  1.0
  Hf  Hf20  1  0.003  0.532  0.199  1.0
  Hf  Hf21  1  0.461  0.884  0.167  1.0
  Hf  Hf22  1  0.997  0.468  0.801  1.0
  Hf  Hf23  1  0.950  0.478  0.405  1.0
  As  As24  1  0.579  0.244  0.168  1.0
  As  As25  1  0.062  0.168  0.872  1.0
  As  As26  1  0.938  0.832  0.128  1.0
  As  As27  1  0.421  0.756  0.832  1.0
  As  As28  1  0.335  0.756  0.332  1.0
  As  As29  1  0.665  0.244  0.668  1.0
  As  As30  1  0.106  0.168  0.372  1.0
  As  As31  1  0.894  0.832  0.628  1.0
[/CIF]
.
The structure described by Hf3As crystallizes in the monoclinic C2/c space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted see-saw-like geometry to two equivalent As(1) and two equivalent As(2) atoms. In the second Hf site, Hf(2) is bonded in a distorted see-saw-like geometry to two equivalent As(1) and two equivalent As(2) atoms. In the third Hf site, Hf(3) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. In the fourth Hf site, Hf(4) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. In the fifth Hf site, Hf(5) is bonded in a 3-coordinate geometry to one As(1) and two equivalent As(2) atoms. In the sixth Hf site, Hf(6) is bonded in a 3-coordinate geometry to one As(2) and two equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Hf(3), one Hf(4), one Hf(5), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Hf(6) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Hf(3), one Hf(4), one Hf(6), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Hf(5) atoms. is represented by the CIF card [CIF]
data_Hf3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   8.155
_cell_length_c   15.324
_cell_angle_alpha   90.279
_cell_angle_beta   90.000
_cell_angle_gamma   109.266
_symmetry_Int_Tables_number   1
_cell_volume   634.862
_cell_formula_units_Z   8
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  0.955  0.834  0.808  1.0
  Hf  Hf1  1  0.539  0.116  0.833  1.0
  Hf  Hf2  1  0.121  0.166  0.692  1.0
  Hf  Hf3  1  0.577  0.116  0.333  1.0
  Hf  Hf4  1  0.528  0.478  0.905  1.0
  Hf  Hf5  1  0.423  0.884  0.667  1.0
  Hf  Hf6  1  0.121  0.690  0.989  1.0
  Hf  Hf7  1  0.297  0.099  0.017  1.0
  Hf  Hf8  1  0.879  0.310  0.011  1.0
  Hf  Hf9  1  0.431  0.310  0.511  1.0
  Hf  Hf10  1  0.472  0.522  0.095  1.0
  Hf  Hf11  1  0.569  0.690  0.489  1.0
  Hf  Hf12  1  0.470  0.468  0.301  1.0
  Hf  Hf13  1  0.530  0.532  0.699  1.0
  Hf  Hf14  1  0.703  0.901  0.983  1.0
  Hf  Hf15  1  0.050  0.522  0.595  1.0
  Hf  Hf16  1  0.879  0.834  0.308  1.0
  Hf  Hf17  1  0.802  0.099  0.517  1.0
  Hf  Hf18  1  0.198  0.901  0.483  1.0
  Hf  Hf19  1  0.045  0.166  0.192  1.0
  Hf  Hf20  1  0.003  0.532  0.199  1.0
  Hf  Hf21  1  0.461  0.884  0.167  1.0
  Hf  Hf22  1  0.997  0.468  0.801  1.0
  Hf  Hf23  1  0.950  0.478  0.405  1.0
  As  As24  1  0.579  0.244  0.168  1.0
  As  As25  1  0.062  0.168  0.872  1.0
  As  As26  1  0.938  0.832  0.128  1.0
  As  As27  1  0.421  0.756  0.832  1.0
  As  As28  1  0.335  0.756  0.332  1.0
  As  As29  1  0.665  0.244  0.668  1.0
  As  As30  1  0.106  0.168  0.372  1.0
  As  As31  1  0.894  0.832  0.628  1.0
[/CIF]
.