The structure described by Sr2OsNiO6 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(2) and four equivalent O(1) atoms to form OsO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted NiO6 octahedra that share corners with six equivalent Os(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 Os(1), and one Ni(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Os(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OSr4NiOs octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NiOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.850
_cell_length_c   5.850
_cell_angle_alpha   125.981
_cell_angle_beta   125.981
_cell_angle_gamma   79.919
_symmetry_Int_Tables_number   1
_cell_volume   126.577
_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
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Os  Os3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.693  0.808  0.501  1.0
  O  O5  1  0.808  0.307  0.114  1.0
  O  O6  1  0.192  0.693  0.886  1.0
  O  O7  1  0.307  0.192  0.499  1.0
  O  O8  1  0.281  0.281  0.000  1.0
  O  O9  1  0.719  0.719  0.000  1.0
[/CIF]
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The structure described by Sr2OsNiO6 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(2) and four equivalent O(1) atoms to form OsO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted NiO6 octahedra that share corners with six equivalent Os(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 Os(1), and one Ni(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Os(1), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OSr4NiOs octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NiOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.850
_cell_length_b   5.850
_cell_length_c   5.850
_cell_angle_alpha   125.981
_cell_angle_beta   125.981
_cell_angle_gamma   79.919
_symmetry_Int_Tables_number   1
_cell_volume   126.577
_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
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Os  Os3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.693  0.808  0.501  1.0
  O  O5  1  0.808  0.307  0.114  1.0
  O  O6  1  0.192  0.693  0.886  1.0
  O  O7  1  0.307  0.192  0.499  1.0
  O  O8  1  0.281  0.281  0.000  1.0
  O  O9  1  0.719  0.719  0.000  1.0
[/CIF]
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