The compound described by RbFeF4 crystallizes in the orthorhombic P2_12_12 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Rb site, Rb(2) is bonded in a 12-coordinate geometry to two equivalent F(1), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms. Fe(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 25-29°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one Fe(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_RbFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.332
_cell_length_b   7.820
_cell_length_c   7.839
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.199
_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  0.451  0.500  0.000  1.0
  Rb  Rb1  1  0.507  0.000  0.000  1.0
  Rb  Rb2  1  0.493  0.500  0.500  1.0
  Rb  Rb3  1  0.549  0.000  0.500  1.0
  Fe  Fe4  1  0.003  0.739  0.745  1.0
  Fe  Fe5  1  0.003  0.261  0.255  1.0
  Fe  Fe6  1  0.997  0.761  0.245  1.0
  Fe  Fe7  1  0.997  0.239  0.755  1.0
  F  F8  1  0.078  0.512  0.261  1.0
  F  F9  1  0.070  0.750  0.995  1.0
  F  F10  1  0.922  0.012  0.239  1.0
  F  F11  1  0.717  0.682  0.783  1.0
  F  F12  1  0.070  0.250  0.005  1.0
  F  F13  1  0.293  0.778  0.702  1.0
  F  F14  1  0.717  0.318  0.217  1.0
  F  F15  1  0.930  0.750  0.495  1.0
  F  F16  1  0.707  0.278  0.798  1.0
  F  F17  1  0.922  0.988  0.761  1.0
  F  F18  1  0.293  0.222  0.298  1.0
  F  F19  1  0.078  0.488  0.739  1.0
  F  F20  1  0.283  0.182  0.717  1.0
  F  F21  1  0.930  0.250  0.505  1.0
  F  F22  1  0.707  0.722  0.202  1.0
  F  F23  1  0.283  0.818  0.283  1.0
[/CIF]
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The compound described by RbFeF4 crystallizes in the orthorhombic P2_12_12 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Rb site, Rb(2) is bonded in a 12-coordinate geometry to two equivalent F(1), two equivalent F(2), four equivalent F(3), and four equivalent F(4) atoms. Fe(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 25-29°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Rb(2), and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one Fe(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_RbFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.332
_cell_length_b   7.820
_cell_length_c   7.839
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.199
_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  0.451  0.500  0.000  1.0
  Rb  Rb1  1  0.507  0.000  0.000  1.0
  Rb  Rb2  1  0.493  0.500  0.500  1.0
  Rb  Rb3  1  0.549  0.000  0.500  1.0
  Fe  Fe4  1  0.003  0.739  0.745  1.0
  Fe  Fe5  1  0.003  0.261  0.255  1.0
  Fe  Fe6  1  0.997  0.761  0.245  1.0
  Fe  Fe7  1  0.997  0.239  0.755  1.0
  F  F8  1  0.078  0.512  0.261  1.0
  F  F9  1  0.070  0.750  0.995  1.0
  F  F10  1  0.922  0.012  0.239  1.0
  F  F11  1  0.717  0.682  0.783  1.0
  F  F12  1  0.070  0.250  0.005  1.0
  F  F13  1  0.293  0.778  0.702  1.0
  F  F14  1  0.717  0.318  0.217  1.0
  F  F15  1  0.930  0.750  0.495  1.0
  F  F16  1  0.707  0.278  0.798  1.0
  F  F17  1  0.922  0.988  0.761  1.0
  F  F18  1  0.293  0.222  0.298  1.0
  F  F19  1  0.078  0.488  0.739  1.0
  F  F20  1  0.283  0.182  0.717  1.0
  F  F21  1  0.930  0.250  0.505  1.0
  F  F22  1  0.707  0.722  0.202  1.0
  F  F23  1  0.283  0.818  0.283  1.0
[/CIF]
.