The material described by Pr2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form distorted PrO7 hexagonal pyramids that share corners with three equivalent Te(1)O6 octahedra, edges with two equivalent Pr(1)O7 hexagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Te(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 TeO6 octahedra that share corners with three equivalent Pr(1)O7 hexagonal pyramids and edges with two equivalent Pr(1)O7 hexagonal pyramids. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Te(1) atom. In the second O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Pr(2) and one Te(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one Te(1) atom. In the fourth O site, O(3) is bonded to one Pr(2), two equivalent Pr(1), and one Te(1) atom to form distorted corner-sharing OPr3Te tetrahedra. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Te(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   9.396
_cell_length_c   10.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.558
_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  0.032  0.217  0.138  1.0
  Pr  Pr1  1  0.468  0.783  0.638  1.0
  Pr  Pr2  1  0.968  0.717  0.362  1.0
  Pr  Pr3  1  0.532  0.283  0.862  1.0
  Pr  Pr4  1  0.027  0.105  0.541  1.0
  Pr  Pr5  1  0.473  0.895  0.041  1.0
  Pr  Pr6  1  0.973  0.605  0.959  1.0
  Pr  Pr7  1  0.527  0.395  0.459  1.0
  Te  Te8  1  0.543  0.004  0.358  1.0
  Te  Te9  1  0.957  0.996  0.858  1.0
  Te  Te10  1  0.457  0.504  0.142  1.0
  Te  Te11  1  0.043  0.496  0.642  1.0
  O  O12  1  0.434  0.147  0.478  1.0
  O  O13  1  0.066  0.853  0.978  1.0
  O  O14  1  0.566  0.647  0.022  1.0
  O  O15  1  0.934  0.353  0.522  1.0
  O  O16  1  0.717  0.389  0.066  1.0
  O  O17  1  0.783  0.611  0.566  1.0
  O  O18  1  0.283  0.889  0.434  1.0
  O  O19  1  0.217  0.111  0.934  1.0
  O  O20  1  0.252  0.414  0.010  1.0
  O  O21  1  0.248  0.586  0.510  1.0
  O  O22  1  0.748  0.914  0.490  1.0
  O  O23  1  0.752  0.086  0.990  1.0
  O  O24  1  0.195  0.637  0.176  1.0
  O  O25  1  0.305  0.363  0.676  1.0
  O  O26  1  0.805  0.137  0.324  1.0
  O  O27  1  0.695  0.863  0.824  1.0
  O  O28  1  0.336  0.055  0.216  1.0
  O  O29  1  0.164  0.945  0.716  1.0
  O  O30  1  0.664  0.555  0.284  1.0
  O  O31  1  0.836  0.445  0.784  1.0
  O  O32  1  0.321  0.365  0.256  1.0
  O  O33  1  0.179  0.635  0.756  1.0
  O  O34  1  0.679  0.865  0.244  1.0
  O  O35  1  0.821  0.135  0.744  1.0
[/CIF]
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The material described by Pr2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form distorted PrO7 hexagonal pyramids that share corners with three equivalent Te(1)O6 octahedra, edges with two equivalent Pr(1)O7 hexagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-43°. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Te(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 TeO6 octahedra that share corners with three equivalent Pr(1)O7 hexagonal pyramids and edges with two equivalent Pr(1)O7 hexagonal pyramids. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Te(1) atom. In the second O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Pr(2) and one Te(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one Te(1) atom. In the fourth O site, O(3) is bonded to one Pr(2), two equivalent Pr(1), and one Te(1) atom to form distorted corner-sharing OPr3Te tetrahedra. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Te(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   9.396
_cell_length_c   10.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   528.558
_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  0.032  0.217  0.138  1.0
  Pr  Pr1  1  0.468  0.783  0.638  1.0
  Pr  Pr2  1  0.968  0.717  0.362  1.0
  Pr  Pr3  1  0.532  0.283  0.862  1.0
  Pr  Pr4  1  0.027  0.105  0.541  1.0
  Pr  Pr5  1  0.473  0.895  0.041  1.0
  Pr  Pr6  1  0.973  0.605  0.959  1.0
  Pr  Pr7  1  0.527  0.395  0.459  1.0
  Te  Te8  1  0.543  0.004  0.358  1.0
  Te  Te9  1  0.957  0.996  0.858  1.0
  Te  Te10  1  0.457  0.504  0.142  1.0
  Te  Te11  1  0.043  0.496  0.642  1.0
  O  O12  1  0.434  0.147  0.478  1.0
  O  O13  1  0.066  0.853  0.978  1.0
  O  O14  1  0.566  0.647  0.022  1.0
  O  O15  1  0.934  0.353  0.522  1.0
  O  O16  1  0.717  0.389  0.066  1.0
  O  O17  1  0.783  0.611  0.566  1.0
  O  O18  1  0.283  0.889  0.434  1.0
  O  O19  1  0.217  0.111  0.934  1.0
  O  O20  1  0.252  0.414  0.010  1.0
  O  O21  1  0.248  0.586  0.510  1.0
  O  O22  1  0.748  0.914  0.490  1.0
  O  O23  1  0.752  0.086  0.990  1.0
  O  O24  1  0.195  0.637  0.176  1.0
  O  O25  1  0.305  0.363  0.676  1.0
  O  O26  1  0.805  0.137  0.324  1.0
  O  O27  1  0.695  0.863  0.824  1.0
  O  O28  1  0.336  0.055  0.216  1.0
  O  O29  1  0.164  0.945  0.716  1.0
  O  O30  1  0.664  0.555  0.284  1.0
  O  O31  1  0.836  0.445  0.784  1.0
  O  O32  1  0.321  0.365  0.256  1.0
  O  O33  1  0.179  0.635  0.756  1.0
  O  O34  1  0.679  0.865  0.244  1.0
  O  O35  1  0.821  0.135  0.744  1.0
[/CIF]
.