The crystal structure described by ZrTe3O8 crystallizes in the cubic Ia-3 space group. Zr(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Te(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Te(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.829
_cell_length_b   9.829
_cell_length_c   9.829
_cell_angle_alpha   109.472
_cell_angle_beta   109.470
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   730.978
_cell_formula_units_Z   4
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  0.500  0.000  0.000  1.0
  Zr  Zr1  1  1.000  0.000  0.500  1.0
  Zr  Zr2  1  0.000  0.500  0.000  1.0
  Zr  Zr3  1  0.500  0.500  0.500  1.0
  Te  Te4  1  0.545  0.250  0.795  1.0
  Te  Te5  1  0.705  0.955  0.750  1.0
  Te  Te6  1  0.250  0.795  0.545  1.0
  Te  Te7  1  0.795  0.545  0.250  1.0
  Te  Te8  1  0.750  0.705  0.955  1.0
  Te  Te9  1  0.955  0.750  0.705  1.0
  Te  Te10  1  0.455  0.750  0.205  1.0
  Te  Te11  1  0.295  0.045  0.250  1.0
  Te  Te12  1  0.750  0.205  0.455  1.0
  Te  Te13  1  0.205  0.455  0.750  1.0
  Te  Te14  1  0.250  0.295  0.045  1.0
  Te  Te15  1  0.045  0.250  0.295  1.0
  O  O16  1  0.539  0.203  0.963  1.0
  O  O17  1  0.760  0.297  0.835  1.0
  O  O18  1  0.961  0.925  0.665  1.0
  O  O19  1  0.575  0.537  0.740  1.0
  O  O20  1  0.537  0.740  0.575  1.0
  O  O21  1  0.963  0.539  0.203  1.0
  O  O22  1  0.297  0.835  0.760  1.0
  O  O23  1  0.665  0.961  0.925  1.0
  O  O24  1  0.203  0.963  0.539  1.0
  O  O25  1  0.835  0.760  0.297  1.0
  O  O26  1  0.925  0.665  0.961  1.0
  O  O27  1  0.740  0.575  0.537  1.0
  O  O28  1  0.461  0.797  0.037  1.0
  O  O29  1  0.240  0.703  0.165  1.0
  O  O30  1  0.039  0.075  0.335  1.0
  O  O31  1  0.425  0.463  0.260  1.0
  O  O32  1  0.166  0.166  0.166  1.0
  O  O33  1  0.334  0.500  0.000  1.0
  O  O34  1  0.000  0.334  0.500  1.0
  O  O35  1  0.500  0.000  0.334  1.0
  O  O36  1  0.834  0.834  0.834  1.0
  O  O37  1  0.666  0.500  0.000  1.0
  O  O38  1  0.000  0.666  0.500  1.0
  O  O39  1  0.500  1.000  0.666  1.0
  O  O40  1  0.260  0.425  0.463  1.0
  O  O41  1  0.075  0.335  0.039  1.0
  O  O42  1  0.165  0.240  0.703  1.0
  O  O43  1  0.797  0.037  0.461  1.0
  O  O44  1  0.335  0.039  0.075  1.0
  O  O45  1  0.703  0.165  0.240  1.0
  O  O46  1  0.037  0.461  0.797  1.0
  O  O47  1  0.463  0.260  0.425  1.0
[/CIF]
.
The crystal structure described by ZrTe3O8 crystallizes in the cubic Ia-3 space group. Zr(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Te(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Te(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.829
_cell_length_b   9.829
_cell_length_c   9.829
_cell_angle_alpha   109.472
_cell_angle_beta   109.470
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   730.978
_cell_formula_units_Z   4
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  0.500  0.000  0.000  1.0
  Zr  Zr1  1  1.000  0.000  0.500  1.0
  Zr  Zr2  1  0.000  0.500  0.000  1.0
  Zr  Zr3  1  0.500  0.500  0.500  1.0
  Te  Te4  1  0.545  0.250  0.795  1.0
  Te  Te5  1  0.705  0.955  0.750  1.0
  Te  Te6  1  0.250  0.795  0.545  1.0
  Te  Te7  1  0.795  0.545  0.250  1.0
  Te  Te8  1  0.750  0.705  0.955  1.0
  Te  Te9  1  0.955  0.750  0.705  1.0
  Te  Te10  1  0.455  0.750  0.205  1.0
  Te  Te11  1  0.295  0.045  0.250  1.0
  Te  Te12  1  0.750  0.205  0.455  1.0
  Te  Te13  1  0.205  0.455  0.750  1.0
  Te  Te14  1  0.250  0.295  0.045  1.0
  Te  Te15  1  0.045  0.250  0.295  1.0
  O  O16  1  0.539  0.203  0.963  1.0
  O  O17  1  0.760  0.297  0.835  1.0
  O  O18  1  0.961  0.925  0.665  1.0
  O  O19  1  0.575  0.537  0.740  1.0
  O  O20  1  0.537  0.740  0.575  1.0
  O  O21  1  0.963  0.539  0.203  1.0
  O  O22  1  0.297  0.835  0.760  1.0
  O  O23  1  0.665  0.961  0.925  1.0
  O  O24  1  0.203  0.963  0.539  1.0
  O  O25  1  0.835  0.760  0.297  1.0
  O  O26  1  0.925  0.665  0.961  1.0
  O  O27  1  0.740  0.575  0.537  1.0
  O  O28  1  0.461  0.797  0.037  1.0
  O  O29  1  0.240  0.703  0.165  1.0
  O  O30  1  0.039  0.075  0.335  1.0
  O  O31  1  0.425  0.463  0.260  1.0
  O  O32  1  0.166  0.166  0.166  1.0
  O  O33  1  0.334  0.500  0.000  1.0
  O  O34  1  0.000  0.334  0.500  1.0
  O  O35  1  0.500  0.000  0.334  1.0
  O  O36  1  0.834  0.834  0.834  1.0
  O  O37  1  0.666  0.500  0.000  1.0
  O  O38  1  0.000  0.666  0.500  1.0
  O  O39  1  0.500  1.000  0.666  1.0
  O  O40  1  0.260  0.425  0.463  1.0
  O  O41  1  0.075  0.335  0.039  1.0
  O  O42  1  0.165  0.240  0.703  1.0
  O  O43  1  0.797  0.037  0.461  1.0
  O  O44  1  0.335  0.039  0.075  1.0
  O  O45  1  0.703  0.165  0.240  1.0
  O  O46  1  0.037  0.461  0.797  1.0
  O  O47  1  0.463  0.260  0.425  1.0
[/CIF]
.