The structure described by Cs4Fe3F10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one F(2), two equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one F(1), two equivalent F(4), three equivalent F(2), and four equivalent F(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form a mixture of face and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Fe site, Fe(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form face-sharing FeF6 octahedra. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Fe(1) atoms. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Cs(2), four equivalent Cs(1), and one Fe(1) atom. In the third F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1), three equivalent Cs(2), one Fe(1), and one Fe(2) atom. In the fourth F site, F(3) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4Fe3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.826
_cell_length_b   7.826
_cell_length_c   13.937
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.707
_symmetry_Int_Tables_number   1
_cell_volume   627.318
_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  0.256  0.744  0.391  1.0
  Cs  Cs1  1  0.244  0.756  0.891  1.0
  Cs  Cs2  1  0.539  0.461  0.861  1.0
  Cs  Cs3  1  0.744  0.256  0.609  1.0
  Cs  Cs4  1  0.039  0.961  0.639  1.0
  Cs  Cs5  1  0.961  0.039  0.361  1.0
  Cs  Cs6  1  0.756  0.244  0.109  1.0
  Cs  Cs7  1  0.461  0.539  0.139  1.0
  Fe  Fe8  1  0.377  0.623  0.652  1.0
  Fe  Fe9  1  0.623  0.377  0.348  1.0
  Fe  Fe10  1  0.123  0.877  0.152  1.0
  Fe  Fe11  1  0.500  0.500  0.500  1.0
  Fe  Fe12  1  0.877  0.123  0.848  1.0
  Fe  Fe13  1  0.000  0.000  0.000  1.0
  F  F14  1  0.757  0.243  0.356  1.0
  F  F15  1  0.977  0.023  0.144  1.0
  F  F16  1  0.116  0.313  0.968  1.0
  F  F17  1  0.187  0.384  0.532  1.0
  F  F18  1  0.243  0.757  0.644  1.0
  F  F19  1  0.813  0.616  0.468  1.0
  F  F20  1  0.743  0.257  0.856  1.0
  F  F21  1  0.884  0.687  0.032  1.0
  F  F22  1  0.313  0.116  0.032  1.0
  F  F23  1  0.867  0.633  0.250  1.0
  F  F24  1  0.633  0.867  0.750  1.0
  F  F25  1  0.023  0.977  0.856  1.0
  F  F26  1  0.687  0.884  0.968  1.0
  F  F27  1  0.384  0.187  0.468  1.0
  F  F28  1  0.616  0.813  0.532  1.0
  F  F29  1  0.477  0.523  0.356  1.0
  F  F30  1  0.257  0.743  0.144  1.0
  F  F31  1  0.523  0.477  0.644  1.0
  F  F32  1  0.133  0.367  0.750  1.0
  F  F33  1  0.367  0.133  0.250  1.0
[/CIF]
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The structure described by Cs4Fe3F10 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one F(2), two equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one F(1), two equivalent F(4), three equivalent F(2), and four equivalent F(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form a mixture of face and corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Fe site, Fe(2) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form face-sharing FeF6 octahedra. There are four inequivalent F sites. In the first F site, F(4) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Fe(1) atoms. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Cs(2), four equivalent Cs(1), and one Fe(1) atom. In the third F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1), three equivalent Cs(2), one Fe(1), and one Fe(2) atom. In the fourth F site, F(3) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4Fe3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.826
_cell_length_b   7.826
_cell_length_c   13.937
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.707
_symmetry_Int_Tables_number   1
_cell_volume   627.318
_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  0.256  0.744  0.391  1.0
  Cs  Cs1  1  0.244  0.756  0.891  1.0
  Cs  Cs2  1  0.539  0.461  0.861  1.0
  Cs  Cs3  1  0.744  0.256  0.609  1.0
  Cs  Cs4  1  0.039  0.961  0.639  1.0
  Cs  Cs5  1  0.961  0.039  0.361  1.0
  Cs  Cs6  1  0.756  0.244  0.109  1.0
  Cs  Cs7  1  0.461  0.539  0.139  1.0
  Fe  Fe8  1  0.377  0.623  0.652  1.0
  Fe  Fe9  1  0.623  0.377  0.348  1.0
  Fe  Fe10  1  0.123  0.877  0.152  1.0
  Fe  Fe11  1  0.500  0.500  0.500  1.0
  Fe  Fe12  1  0.877  0.123  0.848  1.0
  Fe  Fe13  1  0.000  0.000  0.000  1.0
  F  F14  1  0.757  0.243  0.356  1.0
  F  F15  1  0.977  0.023  0.144  1.0
  F  F16  1  0.116  0.313  0.968  1.0
  F  F17  1  0.187  0.384  0.532  1.0
  F  F18  1  0.243  0.757  0.644  1.0
  F  F19  1  0.813  0.616  0.468  1.0
  F  F20  1  0.743  0.257  0.856  1.0
  F  F21  1  0.884  0.687  0.032  1.0
  F  F22  1  0.313  0.116  0.032  1.0
  F  F23  1  0.867  0.633  0.250  1.0
  F  F24  1  0.633  0.867  0.750  1.0
  F  F25  1  0.023  0.977  0.856  1.0
  F  F26  1  0.687  0.884  0.968  1.0
  F  F27  1  0.384  0.187  0.468  1.0
  F  F28  1  0.616  0.813  0.532  1.0
  F  F29  1  0.477  0.523  0.356  1.0
  F  F30  1  0.257  0.743  0.144  1.0
  F  F31  1  0.523  0.477  0.644  1.0
  F  F32  1  0.133  0.367  0.750  1.0
  F  F33  1  0.367  0.133  0.250  1.0
[/CIF]
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