The structure described by RbFe3P3(O4F3)2 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), four equivalent F(1), and four equivalent F(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(2) atoms to form distorted FeO4F2 octahedra that share corners with two equivalent Fe(2)O4F2 octahedra, corners with four equivalent P(1)O3F tetrahedra, and faces with two equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent F(2) atoms to form FeO4F2 octahedra that share  a cornercorner with one Fe(1)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra,  a cornercorner with one P(2)O2F2 tetrahedra, corners with three equivalent P(1)O3F tetrahedra, and  a faceface with one Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one F(3) atom to form PO3F tetrahedra that share corners with two equivalent Fe(1)O4F2 octahedra and corners with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form PO2F2 tetrahedra that share corners with two equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 38°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the third O site, O(4) is bonded in a 2-coordinate geometry to one Rb(1), one Fe(2), and one P(1) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Rb(1), one Fe(2), and one P(2) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second F site, F(3) is bonded in a single-bond geometry to two equivalent Rb(1) and one P(1) atom. In the third F site, F(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbFe3P3(O4F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.976
_cell_length_b   10.976
_cell_length_c   7.910
_cell_angle_alpha   77.906
_cell_angle_beta   77.906
_cell_angle_gamma   40.517
_symmetry_Int_Tables_number   1
_cell_volume   603.421
_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
  Rb  Rb0  1  0.648  0.352  0.750  1.0
  Rb  Rb1  1  0.352  0.648  0.250  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.138  0.187  0.697  1.0
  Fe  Fe5  1  0.813  0.862  0.803  1.0
  Fe  Fe6  1  0.862  0.813  0.303  1.0
  Fe  Fe7  1  0.187  0.138  0.197  1.0
  P  P8  1  0.821  0.527  0.421  1.0
  P  P9  1  0.473  0.179  0.079  1.0
  P  P10  1  0.179  0.473  0.579  1.0
  P  P11  1  0.527  0.821  0.921  1.0
  P  P12  1  0.118  0.882  0.750  1.0
  P  P13  1  0.882  0.118  0.250  1.0
  O  O14  1  0.963  0.923  0.708  1.0
  O  O15  1  0.077  0.037  0.792  1.0
  O  O16  1  0.037  0.077  0.292  1.0
  O  O17  1  0.923  0.963  0.208  1.0
  O  O18  1  0.247  0.291  0.571  1.0
  O  O19  1  0.709  0.753  0.929  1.0
  O  O20  1  0.753  0.709  0.429  1.0
  O  O21  1  0.291  0.247  0.071  1.0
  O  O22  1  0.424  0.954  0.760  1.0
  O  O23  1  0.046  0.576  0.740  1.0
  O  O24  1  0.576  0.046  0.240  1.0
  O  O25  1  0.954  0.424  0.260  1.0
  O  O26  1  0.887  0.399  0.587  1.0
  O  O27  1  0.601  0.113  0.913  1.0
  O  O28  1  0.113  0.601  0.413  1.0
  O  O29  1  0.399  0.887  0.087  1.0
  F  F30  1  0.232  0.716  0.899  1.0
  F  F31  1  0.284  0.768  0.601  1.0
  F  F32  1  0.768  0.284  0.101  1.0
  F  F33  1  0.716  0.232  0.399  1.0
  F  F34  1  0.291  0.046  0.443  1.0
  F  F35  1  0.954  0.709  0.057  1.0
  F  F36  1  0.709  0.954  0.557  1.0
  F  F37  1  0.046  0.291  0.943  1.0
  F  F38  1  0.634  0.594  0.394  1.0
  F  F39  1  0.406  0.366  0.106  1.0
  F  F40  1  0.366  0.406  0.606  1.0
  F  F41  1  0.594  0.634  0.894  1.0
[/CIF]
.
The structure described by RbFe3P3(O4F3)2 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(4), four equivalent F(1), and four equivalent F(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent F(2) atoms to form distorted FeO4F2 octahedra that share corners with two equivalent Fe(2)O4F2 octahedra, corners with four equivalent P(1)O3F tetrahedra, and faces with two equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent F(2) atoms to form FeO4F2 octahedra that share  a cornercorner with one Fe(1)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra,  a cornercorner with one P(2)O2F2 tetrahedra, corners with three equivalent P(1)O3F tetrahedra, and  a faceface with one Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one F(3) atom to form PO3F tetrahedra that share corners with two equivalent Fe(1)O4F2 octahedra and corners with three equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-47°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent F(1) atoms to form PO2F2 tetrahedra that share corners with two equivalent Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 38°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one P(1) atom. In the third O site, O(4) is bonded in a 2-coordinate geometry to one Rb(1), one Fe(2), and one P(1) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Rb(1), one Fe(2), and one P(2) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(1) and two equivalent Fe(2) atoms. In the second F site, F(3) is bonded in a single-bond geometry to two equivalent Rb(1) and one P(1) atom. In the third F site, F(1) is bonded in a single-bond geometry to two equivalent Rb(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbFe3P3(O4F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.976
_cell_length_b   10.976
_cell_length_c   7.910
_cell_angle_alpha   77.906
_cell_angle_beta   77.906
_cell_angle_gamma   40.517
_symmetry_Int_Tables_number   1
_cell_volume   603.421
_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
  Rb  Rb0  1  0.648  0.352  0.750  1.0
  Rb  Rb1  1  0.352  0.648  0.250  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.138  0.187  0.697  1.0
  Fe  Fe5  1  0.813  0.862  0.803  1.0
  Fe  Fe6  1  0.862  0.813  0.303  1.0
  Fe  Fe7  1  0.187  0.138  0.197  1.0
  P  P8  1  0.821  0.527  0.421  1.0
  P  P9  1  0.473  0.179  0.079  1.0
  P  P10  1  0.179  0.473  0.579  1.0
  P  P11  1  0.527  0.821  0.921  1.0
  P  P12  1  0.118  0.882  0.750  1.0
  P  P13  1  0.882  0.118  0.250  1.0
  O  O14  1  0.963  0.923  0.708  1.0
  O  O15  1  0.077  0.037  0.792  1.0
  O  O16  1  0.037  0.077  0.292  1.0
  O  O17  1  0.923  0.963  0.208  1.0
  O  O18  1  0.247  0.291  0.571  1.0
  O  O19  1  0.709  0.753  0.929  1.0
  O  O20  1  0.753  0.709  0.429  1.0
  O  O21  1  0.291  0.247  0.071  1.0
  O  O22  1  0.424  0.954  0.760  1.0
  O  O23  1  0.046  0.576  0.740  1.0
  O  O24  1  0.576  0.046  0.240  1.0
  O  O25  1  0.954  0.424  0.260  1.0
  O  O26  1  0.887  0.399  0.587  1.0
  O  O27  1  0.601  0.113  0.913  1.0
  O  O28  1  0.113  0.601  0.413  1.0
  O  O29  1  0.399  0.887  0.087  1.0
  F  F30  1  0.232  0.716  0.899  1.0
  F  F31  1  0.284  0.768  0.601  1.0
  F  F32  1  0.768  0.284  0.101  1.0
  F  F33  1  0.716  0.232  0.399  1.0
  F  F34  1  0.291  0.046  0.443  1.0
  F  F35  1  0.954  0.709  0.057  1.0
  F  F36  1  0.709  0.954  0.557  1.0
  F  F37  1  0.046  0.291  0.943  1.0
  F  F38  1  0.634  0.594  0.394  1.0
  F  F39  1  0.406  0.366  0.106  1.0
  F  F40  1  0.366  0.406  0.606  1.0
  F  F41  1  0.594  0.634  0.894  1.0
[/CIF]
.