The compound described by Pr5As2O10Cl crystallizes in the monoclinic C2/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to two equivalent O(3), four equivalent O(1), and one Cl(1) atom. In the third Pr site, Pr(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. As(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), one Pr(3), and two equivalent Pr(2) atoms to form OPr4 tetrahedra that share corners with four equivalent O(1)Pr4 tetrahedra, corners with six equivalent O(3)Pr3As tetrahedra, edges with two equivalent O(3)Pr3As tetrahedra, and edges with three equivalent O(1)Pr4 tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Pr(3) and one As(1) atom. In the third O site, O(3) is bonded to one Pr(1), one Pr(2), one Pr(3), and one As(1) atom to form distorted OPr3As tetrahedra that share corners with two equivalent O(3)Pr3As tetrahedra, corners with six equivalent O(1)Pr4 tetrahedra, edges with two equivalent O(3)Pr3As tetrahedra, and edges with two equivalent O(1)Pr4 tetrahedra. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Pr(2) and four equivalent Pr(3) atoms. is represented by the CIF file [CIF]
data_Pr5As2ClO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.948
_cell_length_b   6.948
_cell_length_c   9.217
_cell_angle_alpha   66.039
_cell_angle_beta   66.039
_cell_angle_gamma   49.185
_symmetry_Int_Tables_number   1
_cell_volume   301.285
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.252  0.252  0.129  1.0
  Pr  Pr2  1  0.748  0.748  0.871  1.0
  Pr  Pr3  1  0.500  0.500  0.708  1.0
  Pr  Pr4  1  0.500  0.500  0.292  1.0
  As  As5  1  0.215  0.215  0.609  1.0
  As  As6  1  0.785  0.785  0.391  1.0
  Cl  Cl7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.867  0.374  0.084  1.0
  O  O9  1  0.374  0.867  0.084  1.0
  O  O10  1  0.133  0.626  0.916  1.0
  O  O11  1  0.626  0.133  0.916  1.0
  O  O12  1  0.359  0.359  0.603  1.0
  O  O13  1  0.641  0.641  0.397  1.0
  O  O14  1  0.093  0.624  0.246  1.0
  O  O15  1  0.624  0.093  0.246  1.0
  O  O16  1  0.907  0.376  0.754  1.0
  O  O17  1  0.376  0.907  0.754  1.0
[/CIF]
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The compound described by Pr5As2O10Cl crystallizes in the monoclinic C2/m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded in a 6-coordinate geometry to two equivalent O(3), four equivalent O(1), and one Cl(1) atom. In the third Pr site, Pr(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. As(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Pr(1), one Pr(3), and two equivalent Pr(2) atoms to form OPr4 tetrahedra that share corners with four equivalent O(1)Pr4 tetrahedra, corners with six equivalent O(3)Pr3As tetrahedra, edges with two equivalent O(3)Pr3As tetrahedra, and edges with three equivalent O(1)Pr4 tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Pr(3) and one As(1) atom. In the third O site, O(3) is bonded to one Pr(1), one Pr(2), one Pr(3), and one As(1) atom to form distorted OPr3As tetrahedra that share corners with two equivalent O(3)Pr3As tetrahedra, corners with six equivalent O(1)Pr4 tetrahedra, edges with two equivalent O(3)Pr3As tetrahedra, and edges with two equivalent O(1)Pr4 tetrahedra. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Pr(2) and four equivalent Pr(3) atoms. is represented by the CIF file [CIF]
data_Pr5As2ClO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.948
_cell_length_b   6.948
_cell_length_c   9.217
_cell_angle_alpha   66.039
_cell_angle_beta   66.039
_cell_angle_gamma   49.185
_symmetry_Int_Tables_number   1
_cell_volume   301.285
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.252  0.252  0.129  1.0
  Pr  Pr2  1  0.748  0.748  0.871  1.0
  Pr  Pr3  1  0.500  0.500  0.708  1.0
  Pr  Pr4  1  0.500  0.500  0.292  1.0
  As  As5  1  0.215  0.215  0.609  1.0
  As  As6  1  0.785  0.785  0.391  1.0
  Cl  Cl7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.867  0.374  0.084  1.0
  O  O9  1  0.374  0.867  0.084  1.0
  O  O10  1  0.133  0.626  0.916  1.0
  O  O11  1  0.626  0.133  0.916  1.0
  O  O12  1  0.359  0.359  0.603  1.0
  O  O13  1  0.641  0.641  0.397  1.0
  O  O14  1  0.093  0.624  0.246  1.0
  O  O15  1  0.624  0.093  0.246  1.0
  O  O16  1  0.907  0.376  0.754  1.0
  O  O17  1  0.376  0.907  0.754  1.0
[/CIF]
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