The material structure described by PrZn(AgO3)2 is Ilmenite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ag(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form AgO6 octahedra that share corners with six equivalent Ag(1)O6 octahedra, corners with two equivalent Zn(1)O6 pentagonal pyramids, and edges with two equivalent Zn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-52°. Zn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 pentagonal pyramids that share corners with four equivalent Ag(1)O6 octahedra and edges with four equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-70°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), two equivalent Ag(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OPrZnAg2 trigonal pyramids. In the second O site, O(2) is bonded to one Pr(1), two equivalent Ag(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OPrZnAg2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Pr(1), two equivalent Ag(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Pr(1), two equivalent Ag(1), and one Zn(1) atom to form distorted corner-sharing OPrZnAg2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrZn(AgO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.770
_cell_length_c   8.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.300
_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  0.021  0.679  0.000  1.0
  Pr  Pr1  1  0.521  0.321  0.500  1.0
  Zn  Zn2  1  0.469  0.186  0.000  1.0
  Zn  Zn3  1  0.969  0.814  0.500  1.0
  Ag  Ag4  1  1.000  0.243  0.752  1.0
  Ag  Ag5  1  1.000  0.243  0.248  1.0
  Ag  Ag6  1  0.500  0.757  0.252  1.0
  Ag  Ag7  1  0.500  0.757  0.748  1.0
  O  O8  1  0.112  0.174  0.500  1.0
  O  O9  1  0.221  0.974  0.835  1.0
  O  O10  1  0.221  0.974  0.165  1.0
  O  O11  1  0.314  0.438  0.177  1.0
  O  O12  1  0.314  0.438  0.823  1.0
  O  O13  1  0.327  0.699  0.500  1.0
  O  O14  1  0.612  0.826  0.000  1.0
  O  O15  1  0.721  0.026  0.665  1.0
  O  O16  1  0.721  0.026  0.335  1.0
  O  O17  1  0.814  0.562  0.677  1.0
  O  O18  1  0.814  0.562  0.323  1.0
  O  O19  1  0.827  0.301  0.000  1.0
[/CIF]
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The material structure described by PrZn(AgO3)2 is Ilmenite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ag(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form AgO6 octahedra that share corners with six equivalent Ag(1)O6 octahedra, corners with two equivalent Zn(1)O6 pentagonal pyramids, and edges with two equivalent Zn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-52°. Zn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 pentagonal pyramids that share corners with four equivalent Ag(1)O6 octahedra and edges with four equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-70°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), two equivalent Ag(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OPrZnAg2 trigonal pyramids. In the second O site, O(2) is bonded to one Pr(1), two equivalent Ag(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OPrZnAg2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Pr(1), two equivalent Ag(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Pr(1), two equivalent Ag(1), and one Zn(1) atom to form distorted corner-sharing OPrZnAg2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrZn(AgO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.770
_cell_length_c   8.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.300
_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  0.021  0.679  0.000  1.0
  Pr  Pr1  1  0.521  0.321  0.500  1.0
  Zn  Zn2  1  0.469  0.186  0.000  1.0
  Zn  Zn3  1  0.969  0.814  0.500  1.0
  Ag  Ag4  1  1.000  0.243  0.752  1.0
  Ag  Ag5  1  1.000  0.243  0.248  1.0
  Ag  Ag6  1  0.500  0.757  0.252  1.0
  Ag  Ag7  1  0.500  0.757  0.748  1.0
  O  O8  1  0.112  0.174  0.500  1.0
  O  O9  1  0.221  0.974  0.835  1.0
  O  O10  1  0.221  0.974  0.165  1.0
  O  O11  1  0.314  0.438  0.177  1.0
  O  O12  1  0.314  0.438  0.823  1.0
  O  O13  1  0.327  0.699  0.500  1.0
  O  O14  1  0.612  0.826  0.000  1.0
  O  O15  1  0.721  0.026  0.665  1.0
  O  O16  1  0.721  0.026  0.335  1.0
  O  O17  1  0.814  0.562  0.677  1.0
  O  O18  1  0.814  0.562  0.323  1.0
  O  O19  1  0.827  0.301  0.000  1.0
[/CIF]
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