The structure described by Cs3UF6 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded in a linear geometry to two equivalent F(2) atoms. U(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Cs(1) and one U(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Cs(2), four equivalent Cs(1), and one U(1) atom. is represented by the CIF card [CIF]
data_Cs3UF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.295
_cell_length_b   7.295
_cell_length_c   7.295
_cell_angle_alpha   120.298
_cell_angle_beta   120.298
_cell_angle_gamma   89.484
_symmetry_Int_Tables_number   1
_cell_volume   273.250
_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
  Cs  Cs0  1  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Cs  Cs2  1  0.500  0.500  0.000  1.0
  U  U3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.000  0.307  0.307  1.0
  F  F5  1  0.000  0.693  0.693  1.0
  F  F6  1  0.307  0.000  0.307  1.0
  F  F7  1  0.693  0.000  0.693  1.0
  F  F8  1  0.225  0.225  0.000  1.0
  F  F9  1  0.775  0.775  0.000  1.0
[/CIF]
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The structure described by Cs3UF6 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded in a linear geometry to two equivalent F(2) atoms. U(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Cs(1) and one U(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Cs(2), four equivalent Cs(1), and one U(1) atom. is represented by the CIF card [CIF]
data_Cs3UF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.295
_cell_length_b   7.295
_cell_length_c   7.295
_cell_angle_alpha   120.298
_cell_angle_beta   120.298
_cell_angle_gamma   89.484
_symmetry_Int_Tables_number   1
_cell_volume   273.250
_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
  Cs  Cs0  1  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Cs  Cs2  1  0.500  0.500  0.000  1.0
  U  U3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.000  0.307  0.307  1.0
  F  F5  1  0.000  0.693  0.693  1.0
  F  F6  1  0.307  0.000  0.307  1.0
  F  F7  1  0.693  0.000  0.693  1.0
  F  F8  1  0.225  0.225  0.000  1.0
  F  F9  1  0.775  0.775  0.000  1.0
[/CIF]
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