The compound described by Sr2FeWO6 is Orthorhombic Perovskite-derived structured and 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(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one W(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one W(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one W(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one W(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one W(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one W(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2FeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.743
_cell_length_b   5.759
_cell_length_c   8.010
_cell_angle_alpha   90.173
_cell_angle_beta   90.162
_cell_angle_gamma   90.110
_symmetry_Int_Tables_number   1
_cell_volume   264.911
_cell_formula_units_Z   2
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  0.973  0.004  0.752  1.0
  Sr  Sr1  1  0.472  0.495  0.750  1.0
  Sr  Sr2  1  0.528  0.505  0.250  1.0
  Sr  Sr3  1  0.027  0.996  0.248  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  W  W6  1  0.000  0.500  1.000  1.0
  W  W7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.709  0.265  0.534  1.0
  O  O9  1  0.208  0.235  0.966  1.0
  O  O10  1  0.291  0.735  0.466  1.0
  O  O11  1  0.792  0.765  0.034  1.0
  O  O12  1  0.767  0.795  0.467  1.0
  O  O13  1  0.268  0.705  0.034  1.0
  O  O14  1  0.233  0.205  0.533  1.0
  O  O15  1  0.732  0.295  0.966  1.0
  O  O16  1  0.509  0.937  0.741  1.0
  O  O17  1  0.009  0.564  0.760  1.0
  O  O18  1  0.491  0.063  0.260  1.0
  O  O19  1  0.991  0.436  0.240  1.0
[/CIF]
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The compound described by Sr2FeWO6 is Orthorhombic Perovskite-derived structured and 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(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-21°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one W(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one W(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one W(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one W(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one W(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one W(1), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2FeWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.743
_cell_length_b   5.759
_cell_length_c   8.010
_cell_angle_alpha   90.173
_cell_angle_beta   90.162
_cell_angle_gamma   90.110
_symmetry_Int_Tables_number   1
_cell_volume   264.911
_cell_formula_units_Z   2
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  0.973  0.004  0.752  1.0
  Sr  Sr1  1  0.472  0.495  0.750  1.0
  Sr  Sr2  1  0.528  0.505  0.250  1.0
  Sr  Sr3  1  0.027  0.996  0.248  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  W  W6  1  0.000  0.500  1.000  1.0
  W  W7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.709  0.265  0.534  1.0
  O  O9  1  0.208  0.235  0.966  1.0
  O  O10  1  0.291  0.735  0.466  1.0
  O  O11  1  0.792  0.765  0.034  1.0
  O  O12  1  0.767  0.795  0.467  1.0
  O  O13  1  0.268  0.705  0.034  1.0
  O  O14  1  0.233  0.205  0.533  1.0
  O  O15  1  0.732  0.295  0.966  1.0
  O  O16  1  0.509  0.937  0.741  1.0
  O  O17  1  0.009  0.564  0.760  1.0
  O  O18  1  0.491  0.063  0.260  1.0
  O  O19  1  0.991  0.436  0.240  1.0
[/CIF]
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