The crystal structure described by Sr2ZnWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four 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 Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one W(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one W(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one W(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Sr2ZnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.675
_cell_length_b   5.737
_cell_length_c   9.887
_cell_angle_alpha   54.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.862
_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  0.013  0.753  0.250  1.0
  Sr  Sr1  1  0.487  0.753  0.750  1.0
  Sr  Sr2  1  0.987  0.247  0.750  1.0
  Sr  Sr3  1  0.513  0.247  0.250  1.0
  Zn  Zn4  1  0.000  0.000  0.500  1.0
  Zn  Zn5  1  0.500  0.000  0.000  1.0
  W  W6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.760  0.750  0.470  1.0
  O  O9  1  0.740  0.750  0.970  1.0
  O  O10  1  0.240  0.250  0.530  1.0
  O  O11  1  0.260  0.250  0.030  1.0
  O  O12  1  0.279  0.788  0.470  1.0
  O  O13  1  0.221  0.788  0.970  1.0
  O  O14  1  0.721  0.212  0.530  1.0
  O  O15  1  0.779  0.212  0.030  1.0
  O  O16  1  0.495  0.682  0.261  1.0
  O  O17  1  0.005  0.682  0.761  1.0
  O  O18  1  0.505  0.318  0.739  1.0
  O  O19  1  0.995  0.318  0.239  1.0
[/CIF]
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The crystal structure described by Sr2ZnWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four 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 Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one W(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one W(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one W(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_Sr2ZnWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.675
_cell_length_b   5.737
_cell_length_c   9.887
_cell_angle_alpha   54.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.862
_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  0.013  0.753  0.250  1.0
  Sr  Sr1  1  0.487  0.753  0.750  1.0
  Sr  Sr2  1  0.987  0.247  0.750  1.0
  Sr  Sr3  1  0.513  0.247  0.250  1.0
  Zn  Zn4  1  0.000  0.000  0.500  1.0
  Zn  Zn5  1  0.500  0.000  0.000  1.0
  W  W6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.760  0.750  0.470  1.0
  O  O9  1  0.740  0.750  0.970  1.0
  O  O10  1  0.240  0.250  0.530  1.0
  O  O11  1  0.260  0.250  0.030  1.0
  O  O12  1  0.279  0.788  0.470  1.0
  O  O13  1  0.221  0.788  0.970  1.0
  O  O14  1  0.721  0.212  0.530  1.0
  O  O15  1  0.779  0.212  0.030  1.0
  O  O16  1  0.495  0.682  0.261  1.0
  O  O17  1  0.005  0.682  0.761  1.0
  O  O18  1  0.505  0.318  0.739  1.0
  O  O19  1  0.995  0.318  0.239  1.0
[/CIF]
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