The compound described by Pr4Se3(O5F3)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 10-coordinate geometry to one O(4), one O(5), two equivalent O(3), one F(2), two equivalent F(1), and three equivalent F(3) atoms. In the second Pr site, Pr(2) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one Pr(1), one Pr(2), and one Se(1) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Se(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pr(2) and one Se(2) atom. In the fourth O site, O(2) is bonded in a distorted water-like geometry to one Pr(2) and one Se(2) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one Se(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Pr(2) and two equivalent Pr(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Pr(1) and two equivalent Pr(2) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Pr(2) and three equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr4Se3(O5F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.877
_cell_length_b   11.877
_cell_length_c   8.441
_cell_angle_alpha   81.326
_cell_angle_beta   81.326
_cell_angle_gamma   35.288
_symmetry_Int_Tables_number   1
_cell_volume   679.162
_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  0.856  0.719  0.670  1.0
  Pr  Pr1  1  0.544  0.714  0.469  1.0
  Pr  Pr2  1  0.456  0.286  0.531  1.0
  Pr  Pr3  1  0.719  0.856  0.170  1.0
  Pr  Pr4  1  0.286  0.456  0.031  1.0
  Pr  Pr5  1  0.144  0.281  0.330  1.0
  Pr  Pr6  1  0.281  0.144  0.830  1.0
  Pr  Pr7  1  0.714  0.544  0.969  1.0
  Se  Se8  1  0.984  0.830  0.366  1.0
  Se  Se9  1  0.390  0.610  0.750  1.0
  Se  Se10  1  0.170  0.016  0.134  1.0
  Se  Se11  1  0.830  0.984  0.866  1.0
  Se  Se12  1  0.016  0.170  0.634  1.0
  Se  Se13  1  0.610  0.390  0.250  1.0
  O  O14  1  0.582  0.540  0.756  1.0
  O  O15  1  0.749  0.290  0.080  1.0
  O  O16  1  0.039  0.250  0.100  1.0
  O  O17  1  0.418  0.460  0.244  1.0
  O  O18  1  0.107  0.637  0.508  1.0
  O  O19  1  0.893  0.363  0.492  1.0
  O  O20  1  0.637  0.107  0.008  1.0
  O  O21  1  0.750  0.961  0.400  1.0
  O  O22  1  0.251  0.710  0.920  1.0
  O  O23  1  0.743  0.024  0.691  1.0
  O  O24  1  0.257  0.976  0.309  1.0
  O  O25  1  0.363  0.893  0.992  1.0
  O  O26  1  0.024  0.743  0.191  1.0
  O  O27  1  0.540  0.582  0.256  1.0
  O  O28  1  0.710  0.251  0.420  1.0
  O  O29  1  0.460  0.418  0.744  1.0
  O  O30  1  0.290  0.749  0.580  1.0
  O  O31  1  0.961  0.750  0.900  1.0
  O  O32  1  0.976  0.257  0.809  1.0
  O  O33  1  0.250  0.039  0.600  1.0
  F  F34  1  0.519  0.035  0.633  1.0
  F  F35  1  0.646  0.712  0.702  1.0
  F  F36  1  0.354  0.288  0.298  1.0
  F  F37  1  0.644  0.848  0.920  1.0
  F  F38  1  0.848  0.644  0.420  1.0
  F  F39  1  0.965  0.481  0.867  1.0
  F  F40  1  0.712  0.646  0.202  1.0
  F  F41  1  0.356  0.152  0.080  1.0
  F  F42  1  0.481  0.965  0.367  1.0
  F  F43  1  0.035  0.519  0.133  1.0
  F  F44  1  0.288  0.354  0.798  1.0
  F  F45  1  0.152  0.356  0.580  1.0
[/CIF]
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The compound described by Pr4Se3(O5F3)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 10-coordinate geometry to one O(4), one O(5), two equivalent O(3), one F(2), two equivalent F(1), and three equivalent F(3) atoms. In the second Pr site, Pr(2) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), one F(1), one F(3), and two equivalent F(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one Pr(1), one Pr(2), and one Se(1) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one Se(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pr(2) and one Se(2) atom. In the fourth O site, O(2) is bonded in a distorted water-like geometry to one Pr(2) and one Se(2) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one Se(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Pr(2) and two equivalent Pr(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Pr(1) and two equivalent Pr(2) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Pr(2) and three equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_Pr4Se3(O5F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.877
_cell_length_b   11.877
_cell_length_c   8.441
_cell_angle_alpha   81.326
_cell_angle_beta   81.326
_cell_angle_gamma   35.288
_symmetry_Int_Tables_number   1
_cell_volume   679.162
_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  0.856  0.719  0.670  1.0
  Pr  Pr1  1  0.544  0.714  0.469  1.0
  Pr  Pr2  1  0.456  0.286  0.531  1.0
  Pr  Pr3  1  0.719  0.856  0.170  1.0
  Pr  Pr4  1  0.286  0.456  0.031  1.0
  Pr  Pr5  1  0.144  0.281  0.330  1.0
  Pr  Pr6  1  0.281  0.144  0.830  1.0
  Pr  Pr7  1  0.714  0.544  0.969  1.0
  Se  Se8  1  0.984  0.830  0.366  1.0
  Se  Se9  1  0.390  0.610  0.750  1.0
  Se  Se10  1  0.170  0.016  0.134  1.0
  Se  Se11  1  0.830  0.984  0.866  1.0
  Se  Se12  1  0.016  0.170  0.634  1.0
  Se  Se13  1  0.610  0.390  0.250  1.0
  O  O14  1  0.582  0.540  0.756  1.0
  O  O15  1  0.749  0.290  0.080  1.0
  O  O16  1  0.039  0.250  0.100  1.0
  O  O17  1  0.418  0.460  0.244  1.0
  O  O18  1  0.107  0.637  0.508  1.0
  O  O19  1  0.893  0.363  0.492  1.0
  O  O20  1  0.637  0.107  0.008  1.0
  O  O21  1  0.750  0.961  0.400  1.0
  O  O22  1  0.251  0.710  0.920  1.0
  O  O23  1  0.743  0.024  0.691  1.0
  O  O24  1  0.257  0.976  0.309  1.0
  O  O25  1  0.363  0.893  0.992  1.0
  O  O26  1  0.024  0.743  0.191  1.0
  O  O27  1  0.540  0.582  0.256  1.0
  O  O28  1  0.710  0.251  0.420  1.0
  O  O29  1  0.460  0.418  0.744  1.0
  O  O30  1  0.290  0.749  0.580  1.0
  O  O31  1  0.961  0.750  0.900  1.0
  O  O32  1  0.976  0.257  0.809  1.0
  O  O33  1  0.250  0.039  0.600  1.0
  F  F34  1  0.519  0.035  0.633  1.0
  F  F35  1  0.646  0.712  0.702  1.0
  F  F36  1  0.354  0.288  0.298  1.0
  F  F37  1  0.644  0.848  0.920  1.0
  F  F38  1  0.848  0.644  0.420  1.0
  F  F39  1  0.965  0.481  0.867  1.0
  F  F40  1  0.712  0.646  0.202  1.0
  F  F41  1  0.356  0.152  0.080  1.0
  F  F42  1  0.481  0.965  0.367  1.0
  F  F43  1  0.035  0.519  0.133  1.0
  F  F44  1  0.288  0.354  0.798  1.0
  F  F45  1  0.152  0.356  0.580  1.0
[/CIF]
.