The material described by Hf2As crystallizes in the orthorhombic Pnnm space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to two equivalent As(2) and two equivalent As(3) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. In the third Hf site, Hf(3) is bonded in a 3-coordinate geometry to one As(1) and two equivalent As(2) atoms. In the fourth Hf site, Hf(4) is bonded in a distorted T-shaped geometry to one As(1), one As(2), and one As(3) atom. In the fifth Hf site, Hf(5) is bonded to one As(3), two equivalent As(1), and two equivalent As(2) atoms to form distorted edge-sharing HfAs5 trigonal bipyramids. In the sixth Hf site, Hf(6) is bonded in a 4-coordinate geometry to one As(2), one As(3), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(3) is bonded to one Hf(4), one Hf(5), one Hf(6), two equivalent Hf(1), and two equivalent Hf(2) atoms to form distorted edge-sharing AsHf7 pentagonal bipyramids. In the second As site, As(1) is bonded in a 8-coordinate geometry to one Hf(3), one Hf(4), two equivalent Hf(2), two equivalent Hf(5), and two equivalent Hf(6) atoms. In the third As site, As(2) is bonded in a 9-coordinate geometry to one Hf(2), one Hf(4), one Hf(6), two equivalent Hf(1), two equivalent Hf(3), and two equivalent Hf(5) atoms. is represented by the CIF card [CIF]
data_Hf2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.665
_cell_length_b   12.560
_cell_length_c   15.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   714.139
_cell_formula_units_Z   12
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  0.500  0.651  0.478  1.0
  Hf  Hf1  1  0.500  0.349  0.522  1.0
  Hf  Hf2  1  0.000  0.849  0.978  1.0
  Hf  Hf3  1  0.000  0.151  0.022  1.0
  Hf  Hf4  1  0.500  0.593  0.245  1.0
  Hf  Hf5  1  0.500  0.407  0.755  1.0
  Hf  Hf6  1  0.000  0.907  0.745  1.0
  Hf  Hf7  1  0.000  0.093  0.255  1.0
  Hf  Hf8  1  0.500  0.083  0.424  1.0
  Hf  Hf9  1  0.500  0.917  0.576  1.0
  Hf  Hf10  1  0.000  0.417  0.924  1.0
  Hf  Hf11  1  0.000  0.583  0.076  1.0
  Hf  Hf12  1  0.500  0.971  0.107  1.0
  Hf  Hf13  1  0.500  0.029  0.893  1.0
  Hf  Hf14  1  0.000  0.529  0.607  1.0
  Hf  Hf15  1  0.000  0.471  0.393  1.0
  Hf  Hf16  1  0.500  0.308  0.293  1.0
  Hf  Hf17  1  0.500  0.692  0.707  1.0
  Hf  Hf18  1  0.000  0.192  0.793  1.0
  Hf  Hf19  1  0.000  0.808  0.207  1.0
  Hf  Hf20  1  0.500  0.382  0.080  1.0
  Hf  Hf21  1  0.500  0.618  0.920  1.0
  Hf  Hf22  1  0.000  0.118  0.580  1.0
  Hf  Hf23  1  0.000  0.882  0.420  1.0
  As  As24  1  0.500  0.935  0.290  1.0
  As  As25  1  0.500  0.065  0.710  1.0
  As  As26  1  0.000  0.565  0.790  1.0
  As  As27  1  0.000  0.435  0.210  1.0
  As  As28  1  0.500  0.744  0.087  1.0
  As  As29  1  0.500  0.256  0.913  1.0
  As  As30  1  0.000  0.756  0.587  1.0
  As  As31  1  0.000  0.244  0.413  1.0
  As  As32  1  0.500  0.186  0.150  1.0
  As  As33  1  0.500  0.814  0.850  1.0
  As  As34  1  0.000  0.314  0.650  1.0
  As  As35  1  0.000  0.686  0.350  1.0
[/CIF]
.
The material described by Hf2As crystallizes in the orthorhombic Pnnm space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 4-coordinate geometry to two equivalent As(2) and two equivalent As(3) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. In the third Hf site, Hf(3) is bonded in a 3-coordinate geometry to one As(1) and two equivalent As(2) atoms. In the fourth Hf site, Hf(4) is bonded in a distorted T-shaped geometry to one As(1), one As(2), and one As(3) atom. In the fifth Hf site, Hf(5) is bonded to one As(3), two equivalent As(1), and two equivalent As(2) atoms to form distorted edge-sharing HfAs5 trigonal bipyramids. In the sixth Hf site, Hf(6) is bonded in a 4-coordinate geometry to one As(2), one As(3), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(3) is bonded to one Hf(4), one Hf(5), one Hf(6), two equivalent Hf(1), and two equivalent Hf(2) atoms to form distorted edge-sharing AsHf7 pentagonal bipyramids. In the second As site, As(1) is bonded in a 8-coordinate geometry to one Hf(3), one Hf(4), two equivalent Hf(2), two equivalent Hf(5), and two equivalent Hf(6) atoms. In the third As site, As(2) is bonded in a 9-coordinate geometry to one Hf(2), one Hf(4), one Hf(6), two equivalent Hf(1), two equivalent Hf(3), and two equivalent Hf(5) atoms. is represented by the CIF card [CIF]
data_Hf2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.665
_cell_length_b   12.560
_cell_length_c   15.516
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   714.139
_cell_formula_units_Z   12
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  0.500  0.651  0.478  1.0
  Hf  Hf1  1  0.500  0.349  0.522  1.0
  Hf  Hf2  1  0.000  0.849  0.978  1.0
  Hf  Hf3  1  0.000  0.151  0.022  1.0
  Hf  Hf4  1  0.500  0.593  0.245  1.0
  Hf  Hf5  1  0.500  0.407  0.755  1.0
  Hf  Hf6  1  0.000  0.907  0.745  1.0
  Hf  Hf7  1  0.000  0.093  0.255  1.0
  Hf  Hf8  1  0.500  0.083  0.424  1.0
  Hf  Hf9  1  0.500  0.917  0.576  1.0
  Hf  Hf10  1  0.000  0.417  0.924  1.0
  Hf  Hf11  1  0.000  0.583  0.076  1.0
  Hf  Hf12  1  0.500  0.971  0.107  1.0
  Hf  Hf13  1  0.500  0.029  0.893  1.0
  Hf  Hf14  1  0.000  0.529  0.607  1.0
  Hf  Hf15  1  0.000  0.471  0.393  1.0
  Hf  Hf16  1  0.500  0.308  0.293  1.0
  Hf  Hf17  1  0.500  0.692  0.707  1.0
  Hf  Hf18  1  0.000  0.192  0.793  1.0
  Hf  Hf19  1  0.000  0.808  0.207  1.0
  Hf  Hf20  1  0.500  0.382  0.080  1.0
  Hf  Hf21  1  0.500  0.618  0.920  1.0
  Hf  Hf22  1  0.000  0.118  0.580  1.0
  Hf  Hf23  1  0.000  0.882  0.420  1.0
  As  As24  1  0.500  0.935  0.290  1.0
  As  As25  1  0.500  0.065  0.710  1.0
  As  As26  1  0.000  0.565  0.790  1.0
  As  As27  1  0.000  0.435  0.210  1.0
  As  As28  1  0.500  0.744  0.087  1.0
  As  As29  1  0.500  0.256  0.913  1.0
  As  As30  1  0.000  0.756  0.587  1.0
  As  As31  1  0.000  0.244  0.413  1.0
  As  As32  1  0.500  0.186  0.150  1.0
  As  As33  1  0.500  0.814  0.850  1.0
  As  As34  1  0.000  0.314  0.650  1.0
  As  As35  1  0.000  0.686  0.350  1.0
[/CIF]
.