The compound described by PrTaO4 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one Ta(1) atom. In the second O site, O(2) is bonded to three equivalent Pr(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OPr3Ta tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_PrTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.531
_cell_length_b   7.634
_cell_length_c   7.758
_cell_angle_alpha   79.654
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.221
_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  0.224  0.347  0.900  1.0
  Pr  Pr1  1  0.724  0.653  0.600  1.0
  Pr  Pr2  1  0.776  0.653  0.100  1.0
  Pr  Pr3  1  0.276  0.347  0.400  1.0
  Ta  Ta4  1  0.732  0.166  0.695  1.0
  Ta  Ta5  1  0.232  0.834  0.805  1.0
  Ta  Ta6  1  0.268  0.834  0.305  1.0
  Ta  Ta7  1  0.768  0.166  0.195  1.0
  O  O8  1  0.511  0.332  0.132  1.0
  O  O9  1  0.011  0.668  0.368  1.0
  O  O10  1  0.489  0.668  0.868  1.0
  O  O11  1  0.989  0.332  0.632  1.0
  O  O12  1  0.985  0.383  0.170  1.0
  O  O13  1  0.485  0.617  0.330  1.0
  O  O14  1  0.015  0.617  0.830  1.0
  O  O15  1  0.515  0.383  0.670  1.0
  O  O16  1  0.846  0.166  0.945  1.0
  O  O17  1  0.346  0.834  0.555  1.0
  O  O18  1  0.154  0.834  0.055  1.0
  O  O19  1  0.654  0.166  0.445  1.0
  O  O20  1  0.410  0.058  0.796  1.0
  O  O21  1  0.910  0.942  0.704  1.0
  O  O22  1  0.590  0.942  0.204  1.0
  O  O23  1  0.090  0.058  0.296  1.0
[/CIF]
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The compound described by PrTaO4 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one Ta(1) atom. In the second O site, O(2) is bonded to three equivalent Pr(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OPr3Ta tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_PrTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.531
_cell_length_b   7.634
_cell_length_c   7.758
_cell_angle_alpha   79.654
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.221
_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  0.224  0.347  0.900  1.0
  Pr  Pr1  1  0.724  0.653  0.600  1.0
  Pr  Pr2  1  0.776  0.653  0.100  1.0
  Pr  Pr3  1  0.276  0.347  0.400  1.0
  Ta  Ta4  1  0.732  0.166  0.695  1.0
  Ta  Ta5  1  0.232  0.834  0.805  1.0
  Ta  Ta6  1  0.268  0.834  0.305  1.0
  Ta  Ta7  1  0.768  0.166  0.195  1.0
  O  O8  1  0.511  0.332  0.132  1.0
  O  O9  1  0.011  0.668  0.368  1.0
  O  O10  1  0.489  0.668  0.868  1.0
  O  O11  1  0.989  0.332  0.632  1.0
  O  O12  1  0.985  0.383  0.170  1.0
  O  O13  1  0.485  0.617  0.330  1.0
  O  O14  1  0.015  0.617  0.830  1.0
  O  O15  1  0.515  0.383  0.670  1.0
  O  O16  1  0.846  0.166  0.945  1.0
  O  O17  1  0.346  0.834  0.555  1.0
  O  O18  1  0.154  0.834  0.055  1.0
  O  O19  1  0.654  0.166  0.445  1.0
  O  O20  1  0.410  0.058  0.796  1.0
  O  O21  1  0.910  0.942  0.704  1.0
  O  O22  1  0.590  0.942  0.204  1.0
  O  O23  1  0.090  0.058  0.296  1.0
[/CIF]
.