The material structure described by Sr2ReZnO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Re(1)O6 octahedra, and faces with four equivalent Zn(1)O6 octahedra. Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Re(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OSr4ZnRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one Re(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2ZnReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.684
_cell_length_b   5.684
_cell_length_c   5.684
_cell_angle_alpha   120.460
_cell_angle_beta   120.460
_cell_angle_gamma   89.205
_symmetry_Int_Tables_number   1
_cell_volume   128.938
_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  0.250  0.750  0.500  1.0
  Sr  Sr1  1  0.750  0.250  0.500  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  Re  Re3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.260  0.260  0.000  1.0
  O  O5  1  0.740  0.740  0.000  1.0
  O  O6  1  0.223  0.298  0.521  1.0
  O  O7  1  0.777  0.702  0.479  1.0
  O  O8  1  0.702  0.223  0.925  1.0
  O  O9  1  0.298  0.777  0.075  1.0
[/CIF]
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The material structure described by Sr2ReZnO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Re(1)O6 octahedra, and faces with four equivalent Zn(1)O6 octahedra. Re(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ReO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Re(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OSr4ZnRe octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one Re(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2ZnReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.684
_cell_length_b   5.684
_cell_length_c   5.684
_cell_angle_alpha   120.460
_cell_angle_beta   120.460
_cell_angle_gamma   89.205
_symmetry_Int_Tables_number   1
_cell_volume   128.938
_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  0.250  0.750  0.500  1.0
  Sr  Sr1  1  0.750  0.250  0.500  1.0
  Zn  Zn2  1  0.000  0.000  0.000  1.0
  Re  Re3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.260  0.260  0.000  1.0
  O  O5  1  0.740  0.740  0.000  1.0
  O  O6  1  0.223  0.298  0.521  1.0
  O  O7  1  0.777  0.702  0.479  1.0
  O  O8  1  0.702  0.223  0.925  1.0
  O  O9  1  0.298  0.777  0.075  1.0
[/CIF]
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