The crystal structure described by Sr2CrWO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(2) and eight 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 Cr(1)O6 octahedra. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 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. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one W(1), and one Cr(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one W(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Sr2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.637
_cell_length_c   5.637
_cell_angle_alpha   88.861
_cell_angle_beta   60.656
_cell_angle_gamma   119.344
_symmetry_Int_Tables_number   1
_cell_volume   127.890
_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
  Cr  Cr0  1  0.000  0.500  0.500  1.0
  O  O1  1  0.000  0.749  0.749  1.0
  O  O2  1  1.000  0.251  0.251  1.0
  O  O3  1  0.497  0.749  0.251  1.0
  O  O4  1  0.503  0.251  0.749  1.0
  O  O5  1  0.000  0.246  0.754  1.0
  O  O6  1  1.000  0.754  0.246  1.0
  Sr  Sr7  1  0.500  0.750  0.750  1.0
  Sr  Sr8  1  0.500  0.250  0.250  1.0
  W  W9  1  1.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Sr2CrWO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(2) and eight 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 Cr(1)O6 octahedra. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 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. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one W(1), and one Cr(1) atom to form a mixture of distorted corner, face, and edge-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one W(1), and one Cr(1) atom. is represented by the CIF card [CIF]
data_Sr2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.637
_cell_length_c   5.637
_cell_angle_alpha   88.861
_cell_angle_beta   60.656
_cell_angle_gamma   119.344
_symmetry_Int_Tables_number   1
_cell_volume   127.890
_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
  Cr  Cr0  1  0.000  0.500  0.500  1.0
  O  O1  1  0.000  0.749  0.749  1.0
  O  O2  1  1.000  0.251  0.251  1.0
  O  O3  1  0.497  0.749  0.251  1.0
  O  O4  1  0.503  0.251  0.749  1.0
  O  O5  1  0.000  0.246  0.754  1.0
  O  O6  1  1.000  0.754  0.246  1.0
  Sr  Sr7  1  0.500  0.750  0.750  1.0
  Sr  Sr8  1  0.500  0.250  0.250  1.0
  W  W9  1  1.000  0.000  0.000  1.0
[/CIF]
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