The compound described by Cs7Fe4F15 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one F(3), one F(5), one F(6), one F(7), two equivalent F(1), and two equivalent F(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one F(1), one F(3), one F(4), one F(5), one F(6), one F(8), two equivalent F(2), and two equivalent F(7) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(7), one F(8), two equivalent F(4), and two equivalent F(6) atoms. In the fourth Cs site, Cs(4) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(7) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form a mixture of corner and face-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Fe site, Fe(2) is bonded to one F(2), one F(3), one F(5), one F(6), one F(7), and one F(8) atom to form a mixture of corner and face-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are eight inequivalent F sites. In the first F site, F(7) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one Fe(2) atom. In the second F site, F(8) is bonded in a distorted linear geometry to two equivalent Cs(2), two equivalent Cs(3), and two equivalent Fe(2) atoms. In the third F site, F(1) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), and one Fe(1) atom. In the fourth F site, F(2) is bonded to one Cs(3), one Cs(4), two equivalent Cs(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner and face-sharing FCs4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the fifth F site, F(3) is bonded in a distorted linear geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), one Fe(1), and one Fe(2) atom. In the sixth F site, F(4) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Fe(1) atom. In the seventh F site, F(5) is bonded to one Cs(1), one Cs(2), one Cs(3), one Cs(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner and face-sharing FCs4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the eighth F site, F(6) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Cs7Fe4F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.041
_cell_length_b   7.854
_cell_length_c   11.642
_cell_angle_alpha   87.801
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1008.836
_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  0.319  0.495  0.472  1.0
  Cs  Cs1  1  0.654  0.845  0.806  1.0
  Cs  Cs2  1  0.819  0.505  0.028  1.0
  Cs  Cs3  1  0.996  0.670  0.666  1.0
  Cs  Cs4  1  0.000  0.000  0.000  1.0
  Cs  Cs5  1  0.154  0.155  0.694  1.0
  Cs  Cs6  1  0.504  0.670  0.166  1.0
  Cs  Cs7  1  0.496  0.330  0.834  1.0
  Cs  Cs8  1  0.681  0.505  0.528  1.0
  Cs  Cs9  1  0.181  0.495  0.972  1.0
  Cs  Cs10  1  0.500  0.000  0.500  1.0
  Cs  Cs11  1  0.846  0.845  0.306  1.0
  Cs  Cs12  1  0.004  0.330  0.334  1.0
  Cs  Cs13  1  0.346  0.155  0.194  1.0
  Fe  Fe14  1  0.172  0.738  0.227  1.0
  Fe  Fe15  1  0.338  0.921  0.925  1.0
  Fe  Fe16  1  0.828  0.262  0.773  1.0
  Fe  Fe17  1  0.838  0.079  0.575  1.0
  Fe  Fe18  1  0.162  0.921  0.425  1.0
  Fe  Fe19  1  0.672  0.262  0.273  1.0
  Fe  Fe20  1  0.328  0.738  0.727  1.0
  Fe  Fe21  1  0.662  0.079  0.075  1.0
  F  F22  1  0.976  0.332  0.852  1.0
  F  F23  1  0.401  0.986  0.752  1.0
  F  F24  1  0.236  0.825  0.580  1.0
  F  F25  1  0.264  0.825  0.080  1.0
  F  F26  1  0.250  0.503  0.723  1.0
  F  F27  1  0.686  0.183  0.671  1.0
  F  F28  1  0.750  0.497  0.777  1.0
  F  F29  1  0.314  0.817  0.329  1.0
  F  F30  1  0.591  0.315  0.102  1.0
  F  F31  1  0.764  0.175  0.420  1.0
  F  F32  1  0.250  0.503  0.223  1.0
  F  F33  1  0.901  0.014  0.748  1.0
  F  F34  1  0.814  0.183  0.171  1.0
  F  F35  1  0.909  0.315  0.602  1.0
  F  F36  1  0.738  0.857  0.060  1.0
  F  F37  1  0.262  0.143  0.940  1.0
  F  F38  1  0.476  0.668  0.648  1.0
  F  F39  1  0.024  0.668  0.148  1.0
  F  F40  1  0.091  0.685  0.398  1.0
  F  F41  1  0.762  0.857  0.560  1.0
  F  F42  1  0.750  0.497  0.277  1.0
  F  F43  1  0.099  0.986  0.252  1.0
  F  F44  1  0.736  0.175  0.920  1.0
  F  F45  1  0.238  0.143  0.440  1.0
  F  F46  1  0.599  0.014  0.248  1.0
  F  F47  1  0.186  0.817  0.829  1.0
  F  F48  1  0.524  0.332  0.352  1.0
  F  F49  1  0.409  0.685  0.898  1.0
  F  F50  1  0.000  0.000  0.500  1.0
  F  F51  1  0.500  0.000  0.000  1.0
[/CIF]
.
The compound described by Cs7Fe4F15 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one F(3), one F(5), one F(6), one F(7), two equivalent F(1), and two equivalent F(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one F(1), one F(3), one F(4), one F(5), one F(6), one F(8), two equivalent F(2), and two equivalent F(7) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(7), one F(8), two equivalent F(4), and two equivalent F(6) atoms. In the fourth Cs site, Cs(4) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(7) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form a mixture of corner and face-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Fe site, Fe(2) is bonded to one F(2), one F(3), one F(5), one F(6), one F(7), and one F(8) atom to form a mixture of corner and face-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are eight inequivalent F sites. In the first F site, F(7) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one Fe(2) atom. In the second F site, F(8) is bonded in a distorted linear geometry to two equivalent Cs(2), two equivalent Cs(3), and two equivalent Fe(2) atoms. In the third F site, F(1) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), and one Fe(1) atom. In the fourth F site, F(2) is bonded to one Cs(3), one Cs(4), two equivalent Cs(2), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner and face-sharing FCs4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the fifth F site, F(3) is bonded in a distorted linear geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), one Fe(1), and one Fe(2) atom. In the sixth F site, F(4) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Fe(1) atom. In the seventh F site, F(5) is bonded to one Cs(1), one Cs(2), one Cs(3), one Cs(4), one Fe(1), and one Fe(2) atom to form a mixture of distorted corner and face-sharing FCs4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the eighth F site, F(6) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), one Fe(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Cs7Fe4F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.041
_cell_length_b   7.854
_cell_length_c   11.642
_cell_angle_alpha   87.801
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1008.836
_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  0.319  0.495  0.472  1.0
  Cs  Cs1  1  0.654  0.845  0.806  1.0
  Cs  Cs2  1  0.819  0.505  0.028  1.0
  Cs  Cs3  1  0.996  0.670  0.666  1.0
  Cs  Cs4  1  0.000  0.000  0.000  1.0
  Cs  Cs5  1  0.154  0.155  0.694  1.0
  Cs  Cs6  1  0.504  0.670  0.166  1.0
  Cs  Cs7  1  0.496  0.330  0.834  1.0
  Cs  Cs8  1  0.681  0.505  0.528  1.0
  Cs  Cs9  1  0.181  0.495  0.972  1.0
  Cs  Cs10  1  0.500  0.000  0.500  1.0
  Cs  Cs11  1  0.846  0.845  0.306  1.0
  Cs  Cs12  1  0.004  0.330  0.334  1.0
  Cs  Cs13  1  0.346  0.155  0.194  1.0
  Fe  Fe14  1  0.172  0.738  0.227  1.0
  Fe  Fe15  1  0.338  0.921  0.925  1.0
  Fe  Fe16  1  0.828  0.262  0.773  1.0
  Fe  Fe17  1  0.838  0.079  0.575  1.0
  Fe  Fe18  1  0.162  0.921  0.425  1.0
  Fe  Fe19  1  0.672  0.262  0.273  1.0
  Fe  Fe20  1  0.328  0.738  0.727  1.0
  Fe  Fe21  1  0.662  0.079  0.075  1.0
  F  F22  1  0.976  0.332  0.852  1.0
  F  F23  1  0.401  0.986  0.752  1.0
  F  F24  1  0.236  0.825  0.580  1.0
  F  F25  1  0.264  0.825  0.080  1.0
  F  F26  1  0.250  0.503  0.723  1.0
  F  F27  1  0.686  0.183  0.671  1.0
  F  F28  1  0.750  0.497  0.777  1.0
  F  F29  1  0.314  0.817  0.329  1.0
  F  F30  1  0.591  0.315  0.102  1.0
  F  F31  1  0.764  0.175  0.420  1.0
  F  F32  1  0.250  0.503  0.223  1.0
  F  F33  1  0.901  0.014  0.748  1.0
  F  F34  1  0.814  0.183  0.171  1.0
  F  F35  1  0.909  0.315  0.602  1.0
  F  F36  1  0.738  0.857  0.060  1.0
  F  F37  1  0.262  0.143  0.940  1.0
  F  F38  1  0.476  0.668  0.648  1.0
  F  F39  1  0.024  0.668  0.148  1.0
  F  F40  1  0.091  0.685  0.398  1.0
  F  F41  1  0.762  0.857  0.560  1.0
  F  F42  1  0.750  0.497  0.277  1.0
  F  F43  1  0.099  0.986  0.252  1.0
  F  F44  1  0.736  0.175  0.920  1.0
  F  F45  1  0.238  0.143  0.440  1.0
  F  F46  1  0.599  0.014  0.248  1.0
  F  F47  1  0.186  0.817  0.829  1.0
  F  F48  1  0.524  0.332  0.352  1.0
  F  F49  1  0.409  0.685  0.898  1.0
  F  F50  1  0.000  0.000  0.500  1.0
  F  F51  1  0.500  0.000  0.000  1.0
[/CIF]
.