The compound described by Sr2NiWO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Sr(1), one W(1), and one Ni(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4NiW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NiWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.668
_cell_length_b   5.668
_cell_length_c   5.668
_cell_angle_alpha   89.998
_cell_angle_beta   120.001
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.784
_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
  Ni  Ni0  1  0.000  0.500  0.500  1.0
  O  O1  1  0.515  0.757  0.757  1.0
  O  O2  1  1.000  0.757  0.757  1.0
  O  O3  1  0.000  0.243  0.243  1.0
  O  O4  1  0.000  0.243  0.757  1.0
  O  O5  1  0.485  0.243  0.243  1.0
  O  O6  1  1.000  0.757  0.243  1.0
  Sr  Sr7  1  0.500  0.750  0.250  1.0
  Sr  Sr8  1  0.500  0.250  0.750  1.0
  W  W9  1  1.000  1.000  1.000  1.0
[/CIF]
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The compound described by Sr2NiWO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent W(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Sr(1), one W(1), and one Ni(1) atom to form a mixture of distorted face, corner, and edge-sharing OSr4NiW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NiWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.668
_cell_length_b   5.668
_cell_length_c   5.668
_cell_angle_alpha   89.998
_cell_angle_beta   120.001
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.784
_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
  Ni  Ni0  1  0.000  0.500  0.500  1.0
  O  O1  1  0.515  0.757  0.757  1.0
  O  O2  1  1.000  0.757  0.757  1.0
  O  O3  1  0.000  0.243  0.243  1.0
  O  O4  1  0.000  0.243  0.757  1.0
  O  O5  1  0.485  0.243  0.243  1.0
  O  O6  1  1.000  0.757  0.243  1.0
  Sr  Sr7  1  0.500  0.750  0.250  1.0
  Sr  Sr8  1  0.500  0.250  0.750  1.0
  W  W9  1  1.000  1.000  1.000  1.0
[/CIF]
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