The material described by Hf5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to five equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing HfTe5 trigonal bipyramids. In the second Hf site, Hf(2) is bonded in a distorted square co-planar geometry to four equivalent Te(1) atoms. Te(1) is bonded in a distorted hexagonal planar geometry to one Hf(2) and five equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.788
_cell_length_b   7.802
_cell_length_c   7.802
_cell_angle_alpha   86.621
_cell_angle_beta   75.950
_cell_angle_gamma   75.950
_symmetry_Int_Tables_number   1
_cell_volume   217.043
_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  0.690  0.942  0.678  1.0
  Hf  Hf1  1  0.368  0.322  0.942  1.0
  Hf  Hf2  1  0.632  0.678  0.058  1.0
  Hf  Hf3  1  0.310  0.058  0.322  1.0
  Hf  Hf4  1  0.000  0.000  0.000  1.0
  Te  Te5  1  0.948  0.768  0.336  1.0
  Te  Te6  1  0.284  0.664  0.768  1.0
  Te  Te7  1  0.716  0.336  0.232  1.0
  Te  Te8  1  0.052  0.232  0.664  1.0
[/CIF]
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The material described by Hf5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to five equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing HfTe5 trigonal bipyramids. In the second Hf site, Hf(2) is bonded in a distorted square co-planar geometry to four equivalent Te(1) atoms. Te(1) is bonded in a distorted hexagonal planar geometry to one Hf(2) and five equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.788
_cell_length_b   7.802
_cell_length_c   7.802
_cell_angle_alpha   86.621
_cell_angle_beta   75.950
_cell_angle_gamma   75.950
_symmetry_Int_Tables_number   1
_cell_volume   217.043
_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  0.690  0.942  0.678  1.0
  Hf  Hf1  1  0.368  0.322  0.942  1.0
  Hf  Hf2  1  0.632  0.678  0.058  1.0
  Hf  Hf3  1  0.310  0.058  0.322  1.0
  Hf  Hf4  1  0.000  0.000  0.000  1.0
  Te  Te5  1  0.948  0.768  0.336  1.0
  Te  Te6  1  0.284  0.664  0.768  1.0
  Te  Te7  1  0.716  0.336  0.232  1.0
  Te  Te8  1  0.052  0.232  0.664  1.0
[/CIF]
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