The material described by PrZn(BiO3)2 crystallizes in the orthorhombic Pmn2_1 space group. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Zn(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form ZnO4 trigonal pyramids that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. Bi(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), one Zn(1), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OPrZnBi2 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Pr(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Zn(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to one Pr(1), one Zn(1), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OPrZnBi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrZn(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.715
_cell_length_b   6.496
_cell_length_c   8.635
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.601
_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  0.039  0.666  0.000  1.0
  Pr  Pr1  1  0.539  0.334  0.500  1.0
  Zn  Zn2  1  0.529  0.402  0.000  1.0
  Zn  Zn3  1  0.029  0.598  0.500  1.0
  Bi  Bi4  1  0.007  0.219  0.758  1.0
  Bi  Bi5  1  0.007  0.219  0.242  1.0
  Bi  Bi6  1  0.507  0.781  0.258  1.0
  Bi  Bi7  1  0.507  0.781  0.742  1.0
  O  O8  1  0.131  0.267  0.500  1.0
  O  O9  1  0.161  0.914  0.815  1.0
  O  O10  1  0.161  0.914  0.185  1.0
  O  O11  1  0.307  0.458  0.173  1.0
  O  O12  1  0.307  0.458  0.827  1.0
  O  O13  1  0.353  0.691  0.500  1.0
  O  O14  1  0.631  0.733  0.000  1.0
  O  O15  1  0.661  0.086  0.685  1.0
  O  O16  1  0.661  0.086  0.315  1.0
  O  O17  1  0.807  0.542  0.673  1.0
  O  O18  1  0.807  0.542  0.327  1.0
  O  O19  1  0.853  0.309  0.000  1.0
[/CIF]
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The material described by PrZn(BiO3)2 crystallizes in the orthorhombic Pmn2_1 space group. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Zn(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form ZnO4 trigonal pyramids that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. Bi(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), one Zn(1), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OPrZnBi2 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Pr(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Zn(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to one Pr(1), one Zn(1), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OPrZnBi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrZn(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.715
_cell_length_b   6.496
_cell_length_c   8.635
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.601
_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  0.039  0.666  0.000  1.0
  Pr  Pr1  1  0.539  0.334  0.500  1.0
  Zn  Zn2  1  0.529  0.402  0.000  1.0
  Zn  Zn3  1  0.029  0.598  0.500  1.0
  Bi  Bi4  1  0.007  0.219  0.758  1.0
  Bi  Bi5  1  0.007  0.219  0.242  1.0
  Bi  Bi6  1  0.507  0.781  0.258  1.0
  Bi  Bi7  1  0.507  0.781  0.742  1.0
  O  O8  1  0.131  0.267  0.500  1.0
  O  O9  1  0.161  0.914  0.815  1.0
  O  O10  1  0.161  0.914  0.185  1.0
  O  O11  1  0.307  0.458  0.173  1.0
  O  O12  1  0.307  0.458  0.827  1.0
  O  O13  1  0.353  0.691  0.500  1.0
  O  O14  1  0.631  0.733  0.000  1.0
  O  O15  1  0.661  0.086  0.685  1.0
  O  O16  1  0.661  0.086  0.315  1.0
  O  O17  1  0.807  0.542  0.673  1.0
  O  O18  1  0.807  0.542  0.327  1.0
  O  O19  1  0.853  0.309  0.000  1.0
[/CIF]
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