The compound described by Sr2CuOsO6 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. Os(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form OsO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Os(1), and one Cu(1) atom to form a mixture of edge and corner-sharing OSr4CuOs octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Os(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Sr2CuOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.435
_cell_length_c   5.786
_cell_angle_alpha   117.991
_cell_angle_beta   117.994
_cell_angle_gamma   90.047
_symmetry_Int_Tables_number   1
_cell_volume   127.843
_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  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Os  Os3  1  0.500  0.500  1.000  1.0
  O  O4  1  0.726  0.726  0.453  1.0
  O  O5  1  0.200  0.688  0.000  1.0
  O  O6  1  0.274  0.274  0.547  1.0
  O  O7  1  0.800  0.312  1.000  1.0
  O  O8  1  0.312  0.200  0.000  1.0
  O  O9  1  0.688  0.800  1.000  1.0
[/CIF]
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The compound described by Sr2CuOsO6 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. Os(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form OsO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Os(1), and one Cu(1) atom to form a mixture of edge and corner-sharing OSr4CuOs octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Os(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Sr2CuOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.435
_cell_length_c   5.786
_cell_angle_alpha   117.991
_cell_angle_beta   117.994
_cell_angle_gamma   90.047
_symmetry_Int_Tables_number   1
_cell_volume   127.843
_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  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Os  Os3  1  0.500  0.500  1.000  1.0
  O  O4  1  0.726  0.726  0.453  1.0
  O  O5  1  0.200  0.688  0.000  1.0
  O  O6  1  0.274  0.274  0.547  1.0
  O  O7  1  0.800  0.312  1.000  1.0
  O  O8  1  0.312  0.200  0.000  1.0
  O  O9  1  0.688  0.800  1.000  1.0
[/CIF]
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