The crystal structure described by Pr3WBO9 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. W(1) is bonded in a distorted octahedral geometry to three equivalent O(2) and three equivalent O(3) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Pr(1) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Pr(1) and one W(1) atom. In the third O site, O(3) is bonded to three equivalent Pr(1) and one W(1) atom to form a mixture of distorted corner and edge-sharing OPr3W tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3BWO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.850
_cell_length_b   8.850
_cell_length_c   5.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   381.928
_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  0.725  0.643  0.202  1.0
  Pr  Pr1  1  0.275  0.357  0.702  1.0
  Pr  Pr2  1  0.643  0.918  0.702  1.0
  Pr  Pr3  1  0.918  0.275  0.202  1.0
  Pr  Pr4  1  0.357  0.082  0.202  1.0
  Pr  Pr5  1  0.082  0.725  0.702  1.0
  B  B6  1  0.000  0.000  0.865  1.0
  B  B7  1  0.000  0.000  0.365  1.0
  W  W8  1  0.667  0.333  0.744  1.0
  W  W9  1  0.333  0.667  0.244  1.0
  O  O10  1  0.872  0.826  0.857  1.0
  O  O11  1  0.047  0.872  0.357  1.0
  O  O12  1  0.174  0.047  0.857  1.0
  O  O13  1  0.468  0.264  0.541  1.0
  O  O14  1  0.863  0.480  0.967  1.0
  O  O15  1  0.736  0.204  0.541  1.0
  O  O16  1  0.128  0.174  0.357  1.0
  O  O17  1  0.204  0.468  0.041  1.0
  O  O18  1  0.480  0.617  0.467  1.0
  O  O19  1  0.796  0.532  0.541  1.0
  O  O20  1  0.617  0.137  0.967  1.0
  O  O21  1  0.383  0.863  0.467  1.0
  O  O22  1  0.826  0.953  0.357  1.0
  O  O23  1  0.520  0.383  0.967  1.0
  O  O24  1  0.953  0.128  0.857  1.0
  O  O25  1  0.264  0.796  0.041  1.0
  O  O26  1  0.532  0.736  0.041  1.0
  O  O27  1  0.137  0.520  0.467  1.0
[/CIF]
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The crystal structure described by Pr3WBO9 crystallizes in the hexagonal P6_3 space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. W(1) is bonded in a distorted octahedral geometry to three equivalent O(2) and three equivalent O(3) atoms. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Pr(1) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Pr(1) and one W(1) atom. In the third O site, O(3) is bonded to three equivalent Pr(1) and one W(1) atom to form a mixture of distorted corner and edge-sharing OPr3W tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3BWO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.850
_cell_length_b   8.850
_cell_length_c   5.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   381.928
_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  0.725  0.643  0.202  1.0
  Pr  Pr1  1  0.275  0.357  0.702  1.0
  Pr  Pr2  1  0.643  0.918  0.702  1.0
  Pr  Pr3  1  0.918  0.275  0.202  1.0
  Pr  Pr4  1  0.357  0.082  0.202  1.0
  Pr  Pr5  1  0.082  0.725  0.702  1.0
  B  B6  1  0.000  0.000  0.865  1.0
  B  B7  1  0.000  0.000  0.365  1.0
  W  W8  1  0.667  0.333  0.744  1.0
  W  W9  1  0.333  0.667  0.244  1.0
  O  O10  1  0.872  0.826  0.857  1.0
  O  O11  1  0.047  0.872  0.357  1.0
  O  O12  1  0.174  0.047  0.857  1.0
  O  O13  1  0.468  0.264  0.541  1.0
  O  O14  1  0.863  0.480  0.967  1.0
  O  O15  1  0.736  0.204  0.541  1.0
  O  O16  1  0.128  0.174  0.357  1.0
  O  O17  1  0.204  0.468  0.041  1.0
  O  O18  1  0.480  0.617  0.467  1.0
  O  O19  1  0.796  0.532  0.541  1.0
  O  O20  1  0.617  0.137  0.967  1.0
  O  O21  1  0.383  0.863  0.467  1.0
  O  O22  1  0.826  0.953  0.357  1.0
  O  O23  1  0.520  0.383  0.967  1.0
  O  O24  1  0.953  0.128  0.857  1.0
  O  O25  1  0.264  0.796  0.041  1.0
  O  O26  1  0.532  0.736  0.041  1.0
  O  O27  1  0.137  0.520  0.467  1.0
[/CIF]
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