The structure described by PrZn(WO3)2 crystallizes in the monoclinic Pc space group. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent W sites. In the first W site, 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 corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. In the second W site, W(2) 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 corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. Zn(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Pr(1), one W(1), one W(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Pr(1), one W(1), and one W(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pr(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Pr(1), one W(1), one W(2), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Pr(1), one W(1), one W(2), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Pr(1), one W(1), one W(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_PrZn(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.543
_cell_length_c   9.838
_cell_angle_alpha   55.721
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.496
_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
  Pr  Pr0  1  0.196  0.728  0.250  1.0
  Pr  Pr1  1  0.804  0.728  0.750  1.0
  Zn  Zn2  1  0.840  0.225  0.256  1.0
  Zn  Zn3  1  0.160  0.225  0.756  1.0
  W  W4  1  0.730  0.999  0.002  1.0
  W  W5  1  0.742  0.503  0.499  1.0
  W  W6  1  0.270  0.999  0.502  1.0
  W  W7  1  0.258  0.503  0.999  1.0
  O  O8  1  0.739  0.136  0.755  1.0
  O  O9  1  0.437  0.777  0.049  1.0
  O  O10  1  0.441  0.371  0.441  1.0
  O  O11  1  0.956  0.239  0.443  1.0
  O  O12  1  0.937  0.628  0.069  1.0
  O  O13  1  0.211  0.887  0.744  1.0
  O  O14  1  0.261  0.136  0.255  1.0
  O  O15  1  0.559  0.371  0.941  1.0
  O  O16  1  0.563  0.777  0.549  1.0
  O  O17  1  0.044  0.239  0.943  1.0
  O  O18  1  0.063  0.628  0.569  1.0
  O  O19  1  0.789  0.887  0.244  1.0
[/CIF]
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The structure described by PrZn(WO3)2 crystallizes in the monoclinic Pc space group. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent W sites. In the first W site, 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 corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. In the second W site, W(2) 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 corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. Zn(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Pr(1), one W(1), one W(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Pr(1), one W(1), and one W(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pr(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Pr(1), one W(1), one W(2), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Pr(1), one W(1), one W(2), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Pr(1), one W(1), one W(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_PrZn(WO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.543
_cell_length_c   9.838
_cell_angle_alpha   55.721
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   266.496
_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
  Pr  Pr0  1  0.196  0.728  0.250  1.0
  Pr  Pr1  1  0.804  0.728  0.750  1.0
  Zn  Zn2  1  0.840  0.225  0.256  1.0
  Zn  Zn3  1  0.160  0.225  0.756  1.0
  W  W4  1  0.730  0.999  0.002  1.0
  W  W5  1  0.742  0.503  0.499  1.0
  W  W6  1  0.270  0.999  0.502  1.0
  W  W7  1  0.258  0.503  0.999  1.0
  O  O8  1  0.739  0.136  0.755  1.0
  O  O9  1  0.437  0.777  0.049  1.0
  O  O10  1  0.441  0.371  0.441  1.0
  O  O11  1  0.956  0.239  0.443  1.0
  O  O12  1  0.937  0.628  0.069  1.0
  O  O13  1  0.211  0.887  0.744  1.0
  O  O14  1  0.261  0.136  0.255  1.0
  O  O15  1  0.559  0.371  0.941  1.0
  O  O16  1  0.563  0.777  0.549  1.0
  O  O17  1  0.044  0.239  0.943  1.0
  O  O18  1  0.063  0.628  0.569  1.0
  O  O19  1  0.789  0.887  0.244  1.0
[/CIF]
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