The material described by Rb2FeF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), and four equivalent F(1) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), and four equivalent F(1) atoms. Fe(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom. In the second F site, F(2) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Fe(1) atoms. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Rb2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   7.506
_cell_length_c   11.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.214
_cell_formula_units_Z   4
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  0.250  0.484  0.277  1.0
  Rb  Rb1  1  0.750  0.516  0.723  1.0
  Rb  Rb2  1  0.250  0.984  0.223  1.0
  Rb  Rb3  1  0.750  0.016  0.777  1.0
  Rb  Rb4  1  0.250  0.157  0.585  1.0
  Rb  Rb5  1  0.750  0.843  0.415  1.0
  Rb  Rb6  1  0.250  0.657  0.915  1.0
  Rb  Rb7  1  0.750  0.343  0.085  1.0
  Fe  Fe8  1  0.250  0.665  0.564  1.0
  Fe  Fe9  1  0.750  0.335  0.436  1.0
  Fe  Fe10  1  0.250  0.165  0.936  1.0
  Fe  Fe11  1  0.750  0.835  0.064  1.0
  F  F12  1  0.510  0.187  0.382  1.0
  F  F13  1  0.010  0.813  0.618  1.0
  F  F14  1  0.990  0.687  0.118  1.0
  F  F15  1  0.490  0.313  0.882  1.0
  F  F16  1  0.490  0.813  0.618  1.0
  F  F17  1  0.990  0.187  0.382  1.0
  F  F18  1  0.010  0.313  0.882  1.0
  F  F19  1  0.510  0.687  0.118  1.0
  F  F20  1  0.250  0.781  0.420  1.0
  F  F21  1  0.750  0.219  0.580  1.0
  F  F22  1  0.250  0.281  0.080  1.0
  F  F23  1  0.750  0.719  0.920  1.0
  F  F24  1  0.500  0.500  0.500  1.0
  F  F25  1  0.000  0.500  0.500  1.0
  F  F26  1  0.000  0.000  0.000  1.0
  F  F27  1  0.500  0.000  0.000  1.0
  F  F28  1  0.750  0.984  0.191  1.0
  F  F29  1  0.250  0.016  0.809  1.0
  F  F30  1  0.750  0.484  0.309  1.0
  F  F31  1  0.250  0.516  0.691  1.0
[/CIF]
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The material described by Rb2FeF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), and four equivalent F(1) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), and four equivalent F(1) atoms. Fe(1) is bonded to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom. In the second F site, F(2) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Fe(1) atoms. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Rb(1), two equivalent Rb(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Rb2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   7.506
_cell_length_c   11.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.214
_cell_formula_units_Z   4
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  0.250  0.484  0.277  1.0
  Rb  Rb1  1  0.750  0.516  0.723  1.0
  Rb  Rb2  1  0.250  0.984  0.223  1.0
  Rb  Rb3  1  0.750  0.016  0.777  1.0
  Rb  Rb4  1  0.250  0.157  0.585  1.0
  Rb  Rb5  1  0.750  0.843  0.415  1.0
  Rb  Rb6  1  0.250  0.657  0.915  1.0
  Rb  Rb7  1  0.750  0.343  0.085  1.0
  Fe  Fe8  1  0.250  0.665  0.564  1.0
  Fe  Fe9  1  0.750  0.335  0.436  1.0
  Fe  Fe10  1  0.250  0.165  0.936  1.0
  Fe  Fe11  1  0.750  0.835  0.064  1.0
  F  F12  1  0.510  0.187  0.382  1.0
  F  F13  1  0.010  0.813  0.618  1.0
  F  F14  1  0.990  0.687  0.118  1.0
  F  F15  1  0.490  0.313  0.882  1.0
  F  F16  1  0.490  0.813  0.618  1.0
  F  F17  1  0.990  0.187  0.382  1.0
  F  F18  1  0.010  0.313  0.882  1.0
  F  F19  1  0.510  0.687  0.118  1.0
  F  F20  1  0.250  0.781  0.420  1.0
  F  F21  1  0.750  0.219  0.580  1.0
  F  F22  1  0.250  0.281  0.080  1.0
  F  F23  1  0.750  0.719  0.920  1.0
  F  F24  1  0.500  0.500  0.500  1.0
  F  F25  1  0.000  0.500  0.500  1.0
  F  F26  1  0.000  0.000  0.000  1.0
  F  F27  1  0.500  0.000  0.000  1.0
  F  F28  1  0.750  0.984  0.191  1.0
  F  F29  1  0.250  0.016  0.809  1.0
  F  F30  1  0.750  0.484  0.309  1.0
  F  F31  1  0.250  0.516  0.691  1.0
[/CIF]
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