The material described by Rb3NbF8(F2)2 crystallizes in the monoclinic C2/m space group. The structure consists of four 7782-41-4 molecules inside a Rb3NbF8 framework. In the Rb3NbF8 framework, there are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(3) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(3) atoms. Nb(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(3) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), and one Nb(1) atom. In the second F site, F(3) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Rb3NbF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.040
_cell_length_b   8.040
_cell_length_c   7.275
_cell_angle_alpha   87.896
_cell_angle_beta   87.896
_cell_angle_gamma   122.353
_symmetry_Int_Tables_number   1
_cell_volume   396.058
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Rb  Rb1  1  0.500  0.000  0.000  1.0
  Rb  Rb2  1  0.000  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.752  0.917  0.855  1.0
  F  F5  1  0.248  0.083  0.145  1.0
  F  F6  1  0.895  0.414  0.512  1.0
  F  F7  1  0.083  0.248  0.145  1.0
  F  F8  1  0.105  0.586  0.488  1.0
  F  F9  1  0.917  0.752  0.855  1.0
  F  F10  1  0.773  0.945  0.183  1.0
  F  F11  1  0.586  0.105  0.488  1.0
  F  F12  1  0.227  0.055  0.817  1.0
  F  F13  1  0.414  0.895  0.512  1.0
  F  F14  1  0.055  0.227  0.817  1.0
  F  F15  1  0.945  0.773  0.183  1.0
[/CIF]
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The material described by Rb3NbF8(F2)2 crystallizes in the monoclinic C2/m space group. The structure consists of four 7782-41-4 molecules inside a Rb3NbF8 framework. In the Rb3NbF8 framework, there are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(3) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(3) atoms. Nb(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(3) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), and one Nb(1) atom. In the second F site, F(3) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Rb3NbF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.040
_cell_length_b   8.040
_cell_length_c   7.275
_cell_angle_alpha   87.896
_cell_angle_beta   87.896
_cell_angle_gamma   122.353
_symmetry_Int_Tables_number   1
_cell_volume   396.058
_cell_formula_units_Z   1
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  0.000  0.000  0.500  1.0
  Rb  Rb1  1  0.500  0.000  0.000  1.0
  Rb  Rb2  1  0.000  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.752  0.917  0.855  1.0
  F  F5  1  0.248  0.083  0.145  1.0
  F  F6  1  0.895  0.414  0.512  1.0
  F  F7  1  0.083  0.248  0.145  1.0
  F  F8  1  0.105  0.586  0.488  1.0
  F  F9  1  0.917  0.752  0.855  1.0
  F  F10  1  0.773  0.945  0.183  1.0
  F  F11  1  0.586  0.105  0.488  1.0
  F  F12  1  0.227  0.055  0.817  1.0
  F  F13  1  0.414  0.895  0.512  1.0
  F  F14  1  0.055  0.227  0.817  1.0
  F  F15  1  0.945  0.773  0.183  1.0
[/CIF]
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