The material structure described by Sr4CuZn(WO6)2 crystallizes in the tetragonal P4/m space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted 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 Cu(1)O6 octahedra, and faces with two equivalent Zn(1)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Zn(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second W site, W(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. Cu(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CuO6 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 octahedral tilt angles range from 0-18°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form ZnO6 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 octahedral tilt angles range from 0-19°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one W(2), and one Zn(1) atom to form distorted OSr4ZnW octahedra that share corners with six equivalent O(1)Sr4ZnW octahedra and edges with four equivalent O(2)Sr4CuW octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to four equivalent Sr(1), one W(1), and one Cu(1) atom to form distorted OSr4CuW octahedra that share corners with six equivalent O(2)Sr4CuW octahedra and edges with four equivalent O(1)Sr4ZnW octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one W(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one W(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Sr4ZnCu(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.637
_cell_length_c   8.227
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.402
_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
  Sr  Sr0  1  0.000  0.500  0.250  1.0
  Sr  Sr1  1  0.500  0.000  0.750  1.0
  Sr  Sr2  1  0.500  0.000  0.250  1.0
  Sr  Sr3  1  0.000  0.500  0.750  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.500  0.500  0.000  1.0
  W  W7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.000  0.000  0.262  1.0
  O  O9  1  0.500  0.500  0.763  1.0
  O  O10  1  0.500  0.500  0.237  1.0
  O  O11  1  0.000  0.000  0.738  1.0
  O  O12  1  0.718  0.797  0.500  1.0
  O  O13  1  0.218  0.299  0.000  1.0
  O  O14  1  0.782  0.701  0.000  1.0
  O  O15  1  0.282  0.203  0.500  1.0
  O  O16  1  0.701  0.218  0.000  1.0
  O  O17  1  0.203  0.718  0.500  1.0
  O  O18  1  0.797  0.282  0.500  1.0
  O  O19  1  0.299  0.782  0.000  1.0
[/CIF]
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The material structure described by Sr4CuZn(WO6)2 crystallizes in the tetragonal P4/m space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted 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 Cu(1)O6 octahedra, and faces with two equivalent Zn(1)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Zn(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second W site, W(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form WO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. Cu(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CuO6 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 octahedral tilt angles range from 0-18°. Zn(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form ZnO6 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 octahedral tilt angles range from 0-19°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one W(2), and one Zn(1) atom to form distorted OSr4ZnW octahedra that share corners with six equivalent O(1)Sr4ZnW octahedra and edges with four equivalent O(2)Sr4CuW octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to four equivalent Sr(1), one W(1), and one Cu(1) atom to form distorted OSr4CuW octahedra that share corners with six equivalent O(2)Sr4CuW octahedra and edges with four equivalent O(1)Sr4ZnW octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one W(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one W(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Sr4ZnCu(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.637
_cell_length_c   8.227
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.402
_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
  Sr  Sr0  1  0.000  0.500  0.250  1.0
  Sr  Sr1  1  0.500  0.000  0.750  1.0
  Sr  Sr2  1  0.500  0.000  0.250  1.0
  Sr  Sr3  1  0.000  0.500  0.750  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.500  0.500  0.000  1.0
  W  W7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.000  0.000  0.262  1.0
  O  O9  1  0.500  0.500  0.763  1.0
  O  O10  1  0.500  0.500  0.237  1.0
  O  O11  1  0.000  0.000  0.738  1.0
  O  O12  1  0.718  0.797  0.500  1.0
  O  O13  1  0.218  0.299  0.000  1.0
  O  O14  1  0.782  0.701  0.000  1.0
  O  O15  1  0.282  0.203  0.500  1.0
  O  O16  1  0.701  0.218  0.000  1.0
  O  O17  1  0.203  0.718  0.500  1.0
  O  O18  1  0.797  0.282  0.500  1.0
  O  O19  1  0.299  0.782  0.000  1.0
[/CIF]
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