The crystal structure described by Sr2CuTeO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Te(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(1), and one Te(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OSr4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Sr2CuTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.836
_cell_length_c   5.467
_cell_angle_alpha   62.068
_cell_angle_beta   90.000
_cell_angle_gamma   117.932
_symmetry_Int_Tables_number   1
_cell_volume   130.662
_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
  Sr  Sr0  1  0.750  0.500  0.750  1.0
  Sr  Sr1  1  0.250  0.500  0.250  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Te  Te3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.806  0.000  0.691  1.0
  O  O5  1  0.691  0.000  0.194  1.0
  O  O6  1  0.309  0.000  0.806  1.0
  O  O7  1  0.194  0.000  0.309  1.0
  O  O8  1  0.277  0.554  0.723  1.0
  O  O9  1  0.723  0.446  0.277  1.0
[/CIF]
.
The crystal structure described by Sr2CuTeO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Te(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(1), and one Te(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OSr4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Sr2CuTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.836
_cell_length_c   5.467
_cell_angle_alpha   62.068
_cell_angle_beta   90.000
_cell_angle_gamma   117.932
_symmetry_Int_Tables_number   1
_cell_volume   130.662
_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
  Sr  Sr0  1  0.750  0.500  0.750  1.0
  Sr  Sr1  1  0.250  0.500  0.250  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Te  Te3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.806  0.000  0.691  1.0
  O  O5  1  0.691  0.000  0.194  1.0
  O  O6  1  0.309  0.000  0.806  1.0
  O  O7  1  0.194  0.000  0.309  1.0
  O  O8  1  0.277  0.554  0.723  1.0
  O  O9  1  0.723  0.446  0.277  1.0
[/CIF]
.