The structure described by Sr2FeWO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(5), and three equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(1), one O(3), one O(5), three equivalent O(2), three equivalent O(4), and three equivalent O(6) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-25°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-22°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-25°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), three equivalent Sr(1), one W(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OSr4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OSr4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one W(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), one W(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Sr(2), one W(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Sr2FeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.643
_cell_length_b   5.680
_cell_length_c   5.730
_cell_angle_alpha   119.330
_cell_angle_beta   119.187
_cell_angle_gamma   90.555
_symmetry_Int_Tables_number   1
_cell_volume   132.130
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  O  O1  1  0.765  0.765  0.526  1.0
  O  O2  1  0.235  0.235  0.474  1.0
  O  O3  1  0.288  0.813  0.001  1.0
  O  O4  1  0.712  0.187  0.999  1.0
  O  O5  1  0.194  0.291  0.003  1.0
  O  O6  1  0.806  0.709  0.997  1.0
  Sr  Sr7  1  0.249  0.750  0.499  1.0
  Sr  Sr8  1  0.751  0.250  0.501  1.0
  W  W9  1  0.000  1.000  0.000  1.0
[/CIF]
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The structure described by Sr2FeWO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), two equivalent O(5), and three equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to one O(1), one O(3), one O(5), three equivalent O(2), three equivalent O(4), and three equivalent O(6) atoms. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-25°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-22°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-25°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), three equivalent Sr(1), one W(1), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OSr4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OSr4FeW octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one W(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), three equivalent Sr(2), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), one W(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Sr(2), one W(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Sr2FeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.643
_cell_length_b   5.680
_cell_length_c   5.730
_cell_angle_alpha   119.330
_cell_angle_beta   119.187
_cell_angle_gamma   90.555
_symmetry_Int_Tables_number   1
_cell_volume   132.130
_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
  Fe  Fe0  1  0.500  0.500  0.000  1.0
  O  O1  1  0.765  0.765  0.526  1.0
  O  O2  1  0.235  0.235  0.474  1.0
  O  O3  1  0.288  0.813  0.001  1.0
  O  O4  1  0.712  0.187  0.999  1.0
  O  O5  1  0.194  0.291  0.003  1.0
  O  O6  1  0.806  0.709  0.997  1.0
  Sr  Sr7  1  0.249  0.750  0.499  1.0
  Sr  Sr8  1  0.751  0.250  0.501  1.0
  W  W9  1  0.000  1.000  0.000  1.0
[/CIF]
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