data_YHfOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.33
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   91.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfOs2
_chemical_formula_sum   'Y1 Hf1 Os2'
_cell_volume   73.6
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.91  0.0  0.36  1.0
  Os  Os1  1  0.51  0.66  0.9  1.0
  Os  Os2  1  0.59  0.66  0.82  1.0

data_YHfOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.33
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   91.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfOs2
_chemical_formula_sum   'Y1 Hf1 Os2'
_cell_volume   73.6
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.91  0.0  0.36  1.0
  Os  Os2  1  0.51  0.66  0.9  1.0
  Os  Os3  1  0.59  0.66  0.82  1.0

Y Hf Os Os
YHfOs2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a 7-coordinate geometry to one Hf(1), two equivalent Os(2), and four equivalent Os(1) atoms. The Y(1)-Hf(1) bond length is 2.46 Å. There is one shorter (2.10 Å) and one longer (2.84 Å) Y(1)-Os(2) bond length. There are a spread of Y(1)-Os(1) bond distances ranging from 2.05-2.87 Å. Hf(1) is bonded in a 2-coordinate geometry to one Y(1) and one Os(2) atom. The Hf(1)-Os(2) bond length is 3.48 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to four equivalent Y(1) and one Os(2) atom. The Os(1)-Os(2) bond length is 0.59 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to two equivalent Y(1), one Hf(1), and one Os(1) atom.