The material described by Zr5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted square co-planar geometry to four equivalent Te(1) atoms. In the second Zr site, Zr(2) is bonded to five equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing ZrTe5 trigonal bipyramids. Te(1) is bonded in a distorted hexagonal planar geometry to one Zr(1) and five equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr5Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   7.924
_cell_length_c   7.919
_cell_angle_alpha   86.529
_cell_angle_beta   75.871
_cell_angle_gamma   75.791
_symmetry_Int_Tables_number   1
_cell_volume   229.168
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.310  0.060  0.322  1.0
  Zr  Zr2  1  0.631  0.678  0.060  1.0
  Zr  Zr3  1  0.369  0.322  0.940  1.0
  Zr  Zr4  1  0.690  0.940  0.678  1.0
  Te  Te5  1  0.053  0.227  0.667  1.0
  Te  Te6  1  0.720  0.332  0.226  1.0
  Te  Te7  1  0.280  0.668  0.774  1.0
  Te  Te8  1  0.947  0.773  0.333  1.0
[/CIF]
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The material described by Zr5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted square co-planar geometry to four equivalent Te(1) atoms. In the second Zr site, Zr(2) is bonded to five equivalent Te(1) atoms to form a mixture of distorted corner and edge-sharing ZrTe5 trigonal bipyramids. Te(1) is bonded in a distorted hexagonal planar geometry to one Zr(1) and five equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr5Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   7.924
_cell_length_c   7.919
_cell_angle_alpha   86.529
_cell_angle_beta   75.871
_cell_angle_gamma   75.791
_symmetry_Int_Tables_number   1
_cell_volume   229.168
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.310  0.060  0.322  1.0
  Zr  Zr2  1  0.631  0.678  0.060  1.0
  Zr  Zr3  1  0.369  0.322  0.940  1.0
  Zr  Zr4  1  0.690  0.940  0.678  1.0
  Te  Te5  1  0.053  0.227  0.667  1.0
  Te  Te6  1  0.720  0.332  0.226  1.0
  Te  Te7  1  0.280  0.668  0.774  1.0
  Te  Te8  1  0.947  0.773  0.333  1.0
[/CIF]
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