The structure described by PrBiO4 crystallizes in the orthorhombic Pnna space group. Pr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OPr2Bi2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_PrBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.701
_cell_length_c   10.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   348.754
_cell_formula_units_Z   4
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  0.750  0.750  1.0
  Pr  Pr1  1  0.304  0.750  0.250  1.0
  Pr  Pr2  1  0.696  0.250  0.750  1.0
  Pr  Pr3  1  0.804  0.250  0.250  1.0
  Bi  Bi4  1  0.250  0.202  0.000  1.0
  Bi  Bi5  1  0.250  0.298  0.500  1.0
  Bi  Bi6  1  0.750  0.702  0.500  1.0
  Bi  Bi7  1  0.750  0.798  0.000  1.0
  O  O8  1  0.983  0.448  0.616  1.0
  O  O9  1  0.983  0.052  0.884  1.0
  O  O10  1  0.119  0.428  0.129  1.0
  O  O11  1  0.119  0.072  0.371  1.0
  O  O12  1  0.381  0.072  0.629  1.0
  O  O13  1  0.381  0.428  0.871  1.0
  O  O14  1  0.517  0.052  0.116  1.0
  O  O15  1  0.517  0.448  0.384  1.0
  O  O16  1  0.483  0.552  0.616  1.0
  O  O17  1  0.483  0.948  0.884  1.0
  O  O18  1  0.619  0.572  0.129  1.0
  O  O19  1  0.619  0.928  0.371  1.0
  O  O20  1  0.881  0.928  0.629  1.0
  O  O21  1  0.881  0.572  0.871  1.0
  O  O22  1  0.017  0.948  0.116  1.0
  O  O23  1  0.017  0.552  0.384  1.0
[/CIF]
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The structure described by PrBiO4 crystallizes in the orthorhombic Pnna space group. Pr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pr(1) and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OPr2Bi2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_PrBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.701
_cell_length_c   10.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   348.754
_cell_formula_units_Z   4
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  0.750  0.750  1.0
  Pr  Pr1  1  0.304  0.750  0.250  1.0
  Pr  Pr2  1  0.696  0.250  0.750  1.0
  Pr  Pr3  1  0.804  0.250  0.250  1.0
  Bi  Bi4  1  0.250  0.202  0.000  1.0
  Bi  Bi5  1  0.250  0.298  0.500  1.0
  Bi  Bi6  1  0.750  0.702  0.500  1.0
  Bi  Bi7  1  0.750  0.798  0.000  1.0
  O  O8  1  0.983  0.448  0.616  1.0
  O  O9  1  0.983  0.052  0.884  1.0
  O  O10  1  0.119  0.428  0.129  1.0
  O  O11  1  0.119  0.072  0.371  1.0
  O  O12  1  0.381  0.072  0.629  1.0
  O  O13  1  0.381  0.428  0.871  1.0
  O  O14  1  0.517  0.052  0.116  1.0
  O  O15  1  0.517  0.448  0.384  1.0
  O  O16  1  0.483  0.552  0.616  1.0
  O  O17  1  0.483  0.948  0.884  1.0
  O  O18  1  0.619  0.572  0.129  1.0
  O  O19  1  0.619  0.928  0.371  1.0
  O  O20  1  0.881  0.928  0.629  1.0
  O  O21  1  0.881  0.572  0.871  1.0
  O  O22  1  0.017  0.948  0.116  1.0
  O  O23  1  0.017  0.552  0.384  1.0
[/CIF]
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