data_HfCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.74
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoAs2
_chemical_formula_sum   'Hf1 Co1 As2'
_cell_volume   67.85
_cell_formula_units_Z   1
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  Hf3  1  0.64  0.0  0.71  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.98  0.87  0.05  1.0
  As  As1  1  0.3  0.87  0.37  1.0

data_HfCoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.74
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoAs2
_chemical_formula_sum   'Hf1 Co1 As2'
_cell_volume   67.85
_cell_formula_units_Z   1
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  0.64  0.0  0.71  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.3  0.87  0.37  1.0
  As  As3  1  0.98  0.87  0.05  1.0

Hf Co As As
HfCoAs2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfCoAs2 cluster. Hf(1) is bonded in a 2-coordinate geometry to one Co(1) and one As(2) atom. The Hf(1)-Co(1) bond length is 1.97 Å. The Hf(1)-As(2) bond length is 2.21 Å. Co(1) is bonded in a single-bond geometry to one Hf(1) and one As(1) atom. The Co(1)-As(1) bond length is 0.56 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one Co(1) atom. In the second As site, As(2) is bonded in a distorted single-bond geometry to one Hf(1) atom.