The material structure described by Cs2Zr(AgTe2)2 crystallizes in the orthorhombic C222 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent Te(1) atoms. Zr(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and four equivalent Te(1) atoms to form distorted corner-sharing ZrAg4Te4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to two equivalent Zr(1) and four equivalent Te(1) atoms. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1) and four equivalent Te(1) atoms. Te(1) is bonded in a 7-coordinate geometry to four equivalent Cs(1), one Zr(1), one Ag(1), and one Ag(2) atom. is represented by the CIF file [CIF]
data_Cs2Zr(AgTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   8.407
_cell_length_c   6.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.606
_symmetry_Int_Tables_number   1
_cell_volume   338.711
_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
  Cs  Cs0  1  0.500  0.000  0.259  1.0
  Cs  Cs1  1  0.000  0.500  0.741  1.0
  Zr  Zr2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.000  0.000  0.500  1.0
  Ag  Ag4  1  0.500  0.500  0.000  1.0
  Te  Te5  1  0.863  0.655  0.240  1.0
  Te  Te6  1  0.137  0.345  0.240  1.0
  Te  Te7  1  0.655  0.863  0.760  1.0
  Te  Te8  1  0.345  0.137  0.760  1.0
[/CIF]
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The material structure described by Cs2Zr(AgTe2)2 crystallizes in the orthorhombic C222 space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent Te(1) atoms. Zr(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and four equivalent Te(1) atoms to form distorted corner-sharing ZrAg4Te4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to two equivalent Zr(1) and four equivalent Te(1) atoms. In the second Ag site, Ag(2) is bonded in a 6-coordinate geometry to two equivalent Zr(1) and four equivalent Te(1) atoms. Te(1) is bonded in a 7-coordinate geometry to four equivalent Cs(1), one Zr(1), one Ag(1), and one Ag(2) atom. is represented by the CIF file [CIF]
data_Cs2Zr(AgTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   8.407
_cell_length_c   6.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   133.606
_symmetry_Int_Tables_number   1
_cell_volume   338.711
_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
  Cs  Cs0  1  0.500  0.000  0.259  1.0
  Cs  Cs1  1  0.000  0.500  0.741  1.0
  Zr  Zr2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.000  0.000  0.500  1.0
  Ag  Ag4  1  0.500  0.500  0.000  1.0
  Te  Te5  1  0.863  0.655  0.240  1.0
  Te  Te6  1  0.137  0.345  0.240  1.0
  Te  Te7  1  0.655  0.863  0.760  1.0
  Te  Te8  1  0.345  0.137  0.760  1.0
[/CIF]
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