The crystal structure described by Rb3FeF3 crystallizes in the triclinic P1 space group. There are six inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), and two equivalent F(4) atoms. In the second Rb site, Rb(2) is bonded in a T-shaped geometry to one F(1), one F(3), and one F(4) atom. In the third Rb site, Rb(3) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(5), and two equivalent F(6) atoms. In the fourth Rb site, Rb(4) is bonded in a T-shaped geometry to one F(2), one F(5), and one F(6) atom. In the fifth Rb site, Rb(5) is bonded in a 5-coordinate geometry to one F(3), one F(4), one F(6), and two equivalent F(1) atoms. In the sixth Rb site, Rb(6) is bonded in a 5-coordinate geometry to one F(4), one F(5), one F(6), and two equivalent F(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a T-shaped geometry to one F(2), one F(4), and one F(5) atom. In the second Fe site, Fe(2) is bonded in a T-shaped geometry to one F(1), one F(3), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Rb(1), one Rb(2), one Rb(3), two equivalent Rb(5), and one Fe(2) atom to form distorted corner-sharing FRb5Fe octahedra. The corner-sharing octahedral tilt angles are 8°. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), one Rb(4), two equivalent Rb(6), and one Fe(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), one Rb(5), and one Fe(2) atom. In the fourth F site, F(4) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(5), one Rb(6), two equivalent Rb(1), and one Fe(1) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Rb(3), one Rb(4), one Rb(6), and one Fe(1) atom. In the sixth F site, F(6) is bonded in a 6-coordinate geometry to one Rb(4), one Rb(5), one Rb(6), two equivalent Rb(3), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Rb3FeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   6.386
_cell_length_c   10.587
_cell_angle_alpha   81.468
_cell_angle_beta   78.365
_cell_angle_gamma   64.519
_symmetry_Int_Tables_number   1
_cell_volume   371.042
_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  0.388  0.375  0.857  1.0
  Rb  Rb1  1  0.761  0.744  0.748  1.0
  Rb  Rb2  1  0.900  0.862  0.371  1.0
  Rb  Rb3  1  0.274  0.230  0.238  1.0
  Rb  Rb4  1  0.130  0.132  0.620  1.0
  Rb  Rb5  1  0.655  0.592  0.121  1.0
  Fe  Fe6  1  0.040  0.978  0.988  1.0
  Fe  Fe7  1  0.535  0.487  0.489  1.0
  F  F8  1  0.638  0.165  0.609  1.0
  F  F9  1  0.121  0.644  0.087  1.0
  F  F10  1  0.186  0.567  0.602  1.0
  F  F11  1  0.874  0.310  0.887  1.0
  F  F12  1  0.730  0.094  0.132  1.0
  F  F13  1  0.378  0.810  0.380  1.0
[/CIF]
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The crystal structure described by Rb3FeF3 crystallizes in the triclinic P1 space group. There are six inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), and two equivalent F(4) atoms. In the second Rb site, Rb(2) is bonded in a T-shaped geometry to one F(1), one F(3), and one F(4) atom. In the third Rb site, Rb(3) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(5), and two equivalent F(6) atoms. In the fourth Rb site, Rb(4) is bonded in a T-shaped geometry to one F(2), one F(5), and one F(6) atom. In the fifth Rb site, Rb(5) is bonded in a 5-coordinate geometry to one F(3), one F(4), one F(6), and two equivalent F(1) atoms. In the sixth Rb site, Rb(6) is bonded in a 5-coordinate geometry to one F(4), one F(5), one F(6), and two equivalent F(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a T-shaped geometry to one F(2), one F(4), and one F(5) atom. In the second Fe site, Fe(2) is bonded in a T-shaped geometry to one F(1), one F(3), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Rb(1), one Rb(2), one Rb(3), two equivalent Rb(5), and one Fe(2) atom to form distorted corner-sharing FRb5Fe octahedra. The corner-sharing octahedral tilt angles are 8°. In the second F site, F(2) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), one Rb(4), two equivalent Rb(6), and one Fe(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), one Rb(5), and one Fe(2) atom. In the fourth F site, F(4) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(5), one Rb(6), two equivalent Rb(1), and one Fe(1) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Rb(3), one Rb(4), one Rb(6), and one Fe(1) atom. In the sixth F site, F(6) is bonded in a 6-coordinate geometry to one Rb(4), one Rb(5), one Rb(6), two equivalent Rb(3), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Rb3FeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   6.386
_cell_length_c   10.587
_cell_angle_alpha   81.468
_cell_angle_beta   78.365
_cell_angle_gamma   64.519
_symmetry_Int_Tables_number   1
_cell_volume   371.042
_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  0.388  0.375  0.857  1.0
  Rb  Rb1  1  0.761  0.744  0.748  1.0
  Rb  Rb2  1  0.900  0.862  0.371  1.0
  Rb  Rb3  1  0.274  0.230  0.238  1.0
  Rb  Rb4  1  0.130  0.132  0.620  1.0
  Rb  Rb5  1  0.655  0.592  0.121  1.0
  Fe  Fe6  1  0.040  0.978  0.988  1.0
  Fe  Fe7  1  0.535  0.487  0.489  1.0
  F  F8  1  0.638  0.165  0.609  1.0
  F  F9  1  0.121  0.644  0.087  1.0
  F  F10  1  0.186  0.567  0.602  1.0
  F  F11  1  0.874  0.310  0.887  1.0
  F  F12  1  0.730  0.094  0.132  1.0
  F  F13  1  0.378  0.810  0.380  1.0
[/CIF]
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