The compound described by Sr3WO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Sr(1), two equivalent Sr(2), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one W(1) atom. is represented by the CIF card [CIF]
data_Sr3WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   5.830
_cell_length_c   10.183
_cell_angle_alpha   55.163
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   296.811
_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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.948  0.731  0.255  1.0
  Sr  Sr2  1  0.448  0.269  0.245  1.0
  Sr  Sr3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.552  0.731  0.755  1.0
  Sr  Sr5  1  0.052  0.269  0.745  1.0
  W  W6  1  0.500  0.000  0.000  1.0
  W  W7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.452  0.114  0.783  1.0
  O  O9  1  0.238  0.768  0.066  1.0
  O  O10  1  0.174  0.314  0.456  1.0
  O  O11  1  0.674  0.686  0.044  1.0
  O  O12  1  0.738  0.232  0.434  1.0
  O  O13  1  0.952  0.886  0.717  1.0
  O  O14  1  0.048  0.114  0.283  1.0
  O  O15  1  0.262  0.768  0.566  1.0
  O  O16  1  0.326  0.314  0.956  1.0
  O  O17  1  0.826  0.686  0.544  1.0
  O  O18  1  0.762  0.232  0.934  1.0
  O  O19  1  0.548  0.886  0.217  1.0
[/CIF]
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The compound described by Sr3WO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Sr(1), two equivalent Sr(2), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one W(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one W(1) atom. is represented by the CIF card [CIF]
data_Sr3WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   5.830
_cell_length_c   10.183
_cell_angle_alpha   55.163
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   296.811
_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  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.948  0.731  0.255  1.0
  Sr  Sr2  1  0.448  0.269  0.245  1.0
  Sr  Sr3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.552  0.731  0.755  1.0
  Sr  Sr5  1  0.052  0.269  0.745  1.0
  W  W6  1  0.500  0.000  0.000  1.0
  W  W7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.452  0.114  0.783  1.0
  O  O9  1  0.238  0.768  0.066  1.0
  O  O10  1  0.174  0.314  0.456  1.0
  O  O11  1  0.674  0.686  0.044  1.0
  O  O12  1  0.738  0.232  0.434  1.0
  O  O13  1  0.952  0.886  0.717  1.0
  O  O14  1  0.048  0.114  0.283  1.0
  O  O15  1  0.262  0.768  0.566  1.0
  O  O16  1  0.326  0.314  0.956  1.0
  O  O17  1  0.826  0.686  0.544  1.0
  O  O18  1  0.762  0.232  0.934  1.0
  O  O19  1  0.548  0.886  0.217  1.0
[/CIF]
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