The material structure described by Sr2CrWO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 two equivalent W(1)O6 octahedra, faces with two equivalent W(2)O6 octahedra, faces with two equivalent Cr(1)O6 octahedra, and faces with two equivalent Cr(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one W(1), and one Cr(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one W(2), and one Cr(2) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to four equivalent Sr(1), one W(1), and one Cr(1) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one W(2), and one Cr(2) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the fifth O site, O(5) is bonded to four equivalent Sr(1), one W(2), and one Cr(1) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the sixth O site, O(6) is bonded to four equivalent Sr(1), one W(1), and one Cr(2) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF card [CIF]
data_Sr2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   5.641
_cell_length_c   5.670
_cell_angle_alpha   60.203
_cell_angle_beta   60.200
_cell_angle_gamma   90.047
_symmetry_Int_Tables_number   1
_cell_volume   128.277
_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  0.500  0.500  0.000  1.0
  O  O1  1  0.751  0.249  1.000  1.0
  O  O2  1  0.249  0.751  0.000  1.0
  O  O3  1  0.251  0.251  0.497  1.0
  O  O4  1  0.749  0.749  0.503  1.0
  O  O5  1  0.751  0.751  1.000  1.0
  O  O6  1  0.249  0.249  0.000  1.0
  Sr  Sr7  1  0.750  0.250  0.500  1.0
  Sr  Sr8  1  0.250  0.750  0.500  1.0
  W  W9  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Sr2CrWO6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 two equivalent W(1)O6 octahedra, faces with two equivalent W(2)O6 octahedra, faces with two equivalent Cr(1)O6 octahedra, and faces with two equivalent Cr(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one W(1), and one Cr(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one W(2), and one Cr(2) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to four equivalent Sr(1), one W(1), and one Cr(1) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one W(2), and one Cr(2) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the fifth O site, O(5) is bonded to four equivalent Sr(1), one W(2), and one Cr(1) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the sixth O site, O(6) is bonded to four equivalent Sr(1), one W(1), and one Cr(2) atom to form a mixture of distorted face, edge, and corner-sharing OSr4CrW octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF card [CIF]
data_Sr2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   5.641
_cell_length_c   5.670
_cell_angle_alpha   60.203
_cell_angle_beta   60.200
_cell_angle_gamma   90.047
_symmetry_Int_Tables_number   1
_cell_volume   128.277
_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  0.500  0.500  0.000  1.0
  O  O1  1  0.751  0.249  1.000  1.0
  O  O2  1  0.249  0.751  0.000  1.0
  O  O3  1  0.251  0.251  0.497  1.0
  O  O4  1  0.749  0.749  0.503  1.0
  O  O5  1  0.751  0.751  1.000  1.0
  O  O6  1  0.249  0.249  0.000  1.0
  Sr  Sr7  1  0.750  0.250  0.500  1.0
  Sr  Sr8  1  0.250  0.750  0.500  1.0
  W  W9  1  0.000  0.000  0.000  1.0
[/CIF]
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