The compound described by LiCaUF8 crystallizes in the tetragonal I-4 space group. Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. Ca(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. U(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ca(1), and one U(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ca(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCaUF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.659
_cell_length_b   6.659
_cell_length_c   6.659
_cell_angle_alpha   133.056
_cell_angle_beta   133.056
_cell_angle_gamma   68.567
_symmetry_Int_Tables_number   1
_cell_volume   154.802
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.250  0.750  0.500  1.0
  U  U2  1  0.500  0.500  0.000  1.0
  F  F3  1  0.204  0.748  0.106  1.0
  F  F4  1  0.643  0.098  0.894  1.0
  F  F5  1  0.902  0.796  0.545  1.0
  F  F6  1  0.252  0.357  0.455  1.0
  F  F7  1  0.141  0.183  0.628  1.0
  F  F8  1  0.556  0.513  0.372  1.0
  F  F9  1  0.487  0.859  0.043  1.0
  F  F10  1  0.817  0.444  0.957  1.0
[/CIF]
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The compound described by LiCaUF8 crystallizes in the tetragonal I-4 space group. Li(1) is bonded in a distorted tetrahedral geometry to four equivalent F(1) atoms. Ca(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. U(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ca(1), and one U(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ca(1) and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCaUF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.659
_cell_length_b   6.659
_cell_length_c   6.659
_cell_angle_alpha   133.056
_cell_angle_beta   133.056
_cell_angle_gamma   68.567
_symmetry_Int_Tables_number   1
_cell_volume   154.802
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.250  0.750  0.500  1.0
  U  U2  1  0.500  0.500  0.000  1.0
  F  F3  1  0.204  0.748  0.106  1.0
  F  F4  1  0.643  0.098  0.894  1.0
  F  F5  1  0.902  0.796  0.545  1.0
  F  F6  1  0.252  0.357  0.455  1.0
  F  F7  1  0.141  0.183  0.628  1.0
  F  F8  1  0.556  0.513  0.372  1.0
  F  F9  1  0.487  0.859  0.043  1.0
  F  F10  1  0.817  0.444  0.957  1.0
[/CIF]
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