The compound described by Cs2Fe2P3O8F7 crystallizes in the orthorhombic Aea2 space group. Cs(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(3), two equivalent F(2), two equivalent F(4), and three equivalent F(1) atoms. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one P(1)O2F2 tetrahedra, and corners with three equivalent P(2)O3F tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(4) and two equivalent F(4) atoms to form PO2F2 tetrahedra that share corners with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one F(2) atom to form PO3F tetrahedra that share corners with three equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(1), one Fe(1), and one P(2) atom. In the second O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Fe(1), and one P(2) atom. In the third O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one Fe(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Fe(1), and one P(2) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one P(2) atom. In the second F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Cs(1) and two equivalent Fe(1) atoms. In the third F site, F(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one P(1) atom. In the fourth F site, F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_Cs2Fe2P3O8F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.338
_cell_length_b   8.338
_cell_length_c   11.969
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.941
_symmetry_Int_Tables_number   1
_cell_volume   728.147
_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
  Cs  Cs0  1  0.960  0.307  0.657  1.0
  Cs  Cs1  1  0.693  0.040  0.343  1.0
  Cs  Cs2  1  0.460  0.807  0.843  1.0
  Cs  Cs3  1  0.193  0.540  0.157  1.0
  Fe  Fe4  1  0.806  0.767  0.567  1.0
  Fe  Fe5  1  0.233  0.194  0.433  1.0
  Fe  Fe6  1  0.306  0.267  0.933  1.0
  Fe  Fe7  1  0.733  0.694  0.067  1.0
  P  P8  1  0.205  0.795  0.500  1.0
  P  P9  1  0.705  0.295  0.000  1.0
  P  P10  1  0.479  0.360  0.669  1.0
  P  P11  1  0.640  0.521  0.331  1.0
  P  P12  1  0.979  0.860  0.831  1.0
  P  P13  1  0.140  0.021  0.169  1.0
  O  O14  1  0.322  0.303  0.587  1.0
  O  O15  1  0.697  0.678  0.413  1.0
  O  O16  1  0.822  0.803  0.913  1.0
  O  O17  1  0.197  0.178  0.087  1.0
  O  O18  1  0.662  0.518  0.632  1.0
  O  O19  1  0.482  0.338  0.368  1.0
  O  O20  1  0.162  0.018  0.868  1.0
  O  O21  1  0.982  0.838  0.132  1.0
  O  O22  1  0.927  0.884  0.713  1.0
  O  O23  1  0.116  0.073  0.287  1.0
  O  O24  1  0.427  0.384  0.787  1.0
  O  O25  1  0.616  0.573  0.213  1.0
  O  O26  1  0.005  0.693  0.526  1.0
  O  O27  1  0.307  0.995  0.474  1.0
  O  O28  1  0.505  0.193  0.974  1.0
  O  O29  1  0.807  0.495  0.026  1.0
  F  F30  1  0.654  0.875  0.588  1.0
  F  F31  1  0.125  0.346  0.412  1.0
  F  F32  1  0.154  0.375  0.912  1.0
  F  F33  1  0.625  0.846  0.088  1.0
  F  F34  1  0.521  0.191  0.677  1.0
  F  F35  1  0.809  0.479  0.323  1.0
  F  F36  1  0.021  0.691  0.823  1.0
  F  F37  1  0.309  0.979  0.177  1.0
  F  F38  1  0.985  0.015  0.500  1.0
  F  F39  1  0.485  0.515  0.000  1.0
  F  F40  1  0.302  0.749  0.598  1.0
  F  F41  1  0.251  0.698  0.402  1.0
  F  F42  1  0.802  0.249  0.902  1.0
  F  F43  1  0.751  0.198  0.098  1.0
[/CIF]
.
The compound described by Cs2Fe2P3O8F7 crystallizes in the orthorhombic Aea2 space group. Cs(1) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one F(3), two equivalent F(2), two equivalent F(4), and three equivalent F(1) atoms. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one P(1)O2F2 tetrahedra, and corners with three equivalent P(2)O3F tetrahedra. The corner-sharing octahedral tilt angles are 28°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(4) and two equivalent F(4) atoms to form PO2F2 tetrahedra that share corners with two equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one F(2) atom to form PO3F tetrahedra that share corners with three equivalent Fe(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(1), one Fe(1), and one P(2) atom. In the second O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Fe(1), and one P(2) atom. In the third O site, O(4) is bonded in a 2-coordinate geometry to one Cs(1), one Fe(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Fe(1), and one P(2) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one P(2) atom. In the second F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Cs(1) and two equivalent Fe(1) atoms. In the third F site, F(4) is bonded in a single-bond geometry to two equivalent Cs(1) and one P(1) atom. In the fourth F site, F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_Cs2Fe2P3O8F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.338
_cell_length_b   8.338
_cell_length_c   11.969
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.941
_symmetry_Int_Tables_number   1
_cell_volume   728.147
_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
  Cs  Cs0  1  0.960  0.307  0.657  1.0
  Cs  Cs1  1  0.693  0.040  0.343  1.0
  Cs  Cs2  1  0.460  0.807  0.843  1.0
  Cs  Cs3  1  0.193  0.540  0.157  1.0
  Fe  Fe4  1  0.806  0.767  0.567  1.0
  Fe  Fe5  1  0.233  0.194  0.433  1.0
  Fe  Fe6  1  0.306  0.267  0.933  1.0
  Fe  Fe7  1  0.733  0.694  0.067  1.0
  P  P8  1  0.205  0.795  0.500  1.0
  P  P9  1  0.705  0.295  0.000  1.0
  P  P10  1  0.479  0.360  0.669  1.0
  P  P11  1  0.640  0.521  0.331  1.0
  P  P12  1  0.979  0.860  0.831  1.0
  P  P13  1  0.140  0.021  0.169  1.0
  O  O14  1  0.322  0.303  0.587  1.0
  O  O15  1  0.697  0.678  0.413  1.0
  O  O16  1  0.822  0.803  0.913  1.0
  O  O17  1  0.197  0.178  0.087  1.0
  O  O18  1  0.662  0.518  0.632  1.0
  O  O19  1  0.482  0.338  0.368  1.0
  O  O20  1  0.162  0.018  0.868  1.0
  O  O21  1  0.982  0.838  0.132  1.0
  O  O22  1  0.927  0.884  0.713  1.0
  O  O23  1  0.116  0.073  0.287  1.0
  O  O24  1  0.427  0.384  0.787  1.0
  O  O25  1  0.616  0.573  0.213  1.0
  O  O26  1  0.005  0.693  0.526  1.0
  O  O27  1  0.307  0.995  0.474  1.0
  O  O28  1  0.505  0.193  0.974  1.0
  O  O29  1  0.807  0.495  0.026  1.0
  F  F30  1  0.654  0.875  0.588  1.0
  F  F31  1  0.125  0.346  0.412  1.0
  F  F32  1  0.154  0.375  0.912  1.0
  F  F33  1  0.625  0.846  0.088  1.0
  F  F34  1  0.521  0.191  0.677  1.0
  F  F35  1  0.809  0.479  0.323  1.0
  F  F36  1  0.021  0.691  0.823  1.0
  F  F37  1  0.309  0.979  0.177  1.0
  F  F38  1  0.985  0.015  0.500  1.0
  F  F39  1  0.485  0.515  0.000  1.0
  F  F40  1  0.302  0.749  0.598  1.0
  F  F41  1  0.251  0.698  0.402  1.0
  F  F42  1  0.802  0.249  0.902  1.0
  F  F43  1  0.751  0.198  0.098  1.0
[/CIF]
.