The material structure described by CsU2F9 crystallizes in the monoclinic Cc space group. Cs(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(8) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(9), and two equivalent F(7) atoms. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one U(1), and one U(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cs(1), one U(1), and one U(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Cs(1), one U(1), and one U(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Cs(1), one U(1), and one U(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one U(1), and one U(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one U(1), and one U(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent U(2) atoms. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to two equivalent U(1) atoms. In the ninth F site, F(9) is bonded in a single-bond geometry to one U(2) atom. is represented by the CIF file [CIF]
data_CsU2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.405
_cell_length_b   8.405
_cell_length_c   8.701
_cell_angle_alpha   64.455
_cell_angle_beta   64.455
_cell_angle_gamma   49.554
_symmetry_Int_Tables_number   1
_cell_volume   411.684
_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
  Cs  Cs0  1  0.883  0.111  0.753  1.0
  Cs  Cs1  1  0.111  0.883  0.253  1.0
  U  U2  1  0.377  0.187  0.303  1.0
  U  U3  1  0.801  0.614  0.210  1.0
  U  U4  1  0.614  0.801  0.710  1.0
  U  U5  1  0.187  0.377  0.803  1.0
  F  F6  1  0.028  0.649  0.926  1.0
  F  F7  1  0.336  0.984  0.572  1.0
  F  F8  1  0.984  0.336  0.072  1.0
  F  F9  1  0.649  0.028  0.426  1.0
  F  F10  1  0.899  0.436  0.778  1.0
  F  F11  1  0.546  0.125  0.716  1.0
  F  F12  1  0.125  0.546  0.216  1.0
  F  F13  1  0.436  0.899  0.278  1.0
  F  F14  1  0.957  0.731  0.637  1.0
  F  F15  1  0.263  0.050  0.869  1.0
  F  F16  1  0.050  0.263  0.369  1.0
  F  F17  1  0.731  0.957  0.137  1.0
  F  F18  1  0.741  0.642  0.483  1.0
  F  F19  1  0.366  0.260  0.011  1.0
  F  F20  1  0.260  0.366  0.511  1.0
  F  F21  1  0.642  0.741  0.983  1.0
  F  F22  1  0.628  0.475  0.342  1.0
  F  F23  1  0.475  0.628  0.842  1.0
[/CIF]
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The material structure described by CsU2F9 crystallizes in the monoclinic Cc space group. Cs(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), two equivalent F(5), and two equivalent F(6) atoms. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(8) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(9), and two equivalent F(7) atoms. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one U(1), and one U(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Cs(1), one U(1), and one U(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Cs(1), one U(1), and one U(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Cs(1), one U(1), and one U(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one U(1), and one U(2) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one U(1), and one U(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent U(2) atoms. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to two equivalent U(1) atoms. In the ninth F site, F(9) is bonded in a single-bond geometry to one U(2) atom. is represented by the CIF file [CIF]
data_CsU2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.405
_cell_length_b   8.405
_cell_length_c   8.701
_cell_angle_alpha   64.455
_cell_angle_beta   64.455
_cell_angle_gamma   49.554
_symmetry_Int_Tables_number   1
_cell_volume   411.684
_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
  Cs  Cs0  1  0.883  0.111  0.753  1.0
  Cs  Cs1  1  0.111  0.883  0.253  1.0
  U  U2  1  0.377  0.187  0.303  1.0
  U  U3  1  0.801  0.614  0.210  1.0
  U  U4  1  0.614  0.801  0.710  1.0
  U  U5  1  0.187  0.377  0.803  1.0
  F  F6  1  0.028  0.649  0.926  1.0
  F  F7  1  0.336  0.984  0.572  1.0
  F  F8  1  0.984  0.336  0.072  1.0
  F  F9  1  0.649  0.028  0.426  1.0
  F  F10  1  0.899  0.436  0.778  1.0
  F  F11  1  0.546  0.125  0.716  1.0
  F  F12  1  0.125  0.546  0.216  1.0
  F  F13  1  0.436  0.899  0.278  1.0
  F  F14  1  0.957  0.731  0.637  1.0
  F  F15  1  0.263  0.050  0.869  1.0
  F  F16  1  0.050  0.263  0.369  1.0
  F  F17  1  0.731  0.957  0.137  1.0
  F  F18  1  0.741  0.642  0.483  1.0
  F  F19  1  0.366  0.260  0.011  1.0
  F  F20  1  0.260  0.366  0.511  1.0
  F  F21  1  0.642  0.741  0.983  1.0
  F  F22  1  0.628  0.475  0.342  1.0
  F  F23  1  0.475  0.628  0.842  1.0
[/CIF]
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