The crystal structure described by LiU3O8 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing LiO5 trigonal bipyramids. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one U(1) and two equivalent U(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one U(1), and two equivalent U(2) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1) and two equivalent U(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one U(1) and two equivalent U(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiU3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   6.867
_cell_length_c   4.199
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.675
_symmetry_Int_Tables_number   1
_cell_volume   170.925
_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  0.387  0.613  0.500  1.0
  U  U1  1  0.034  0.966  0.000  1.0
  U  U2  1  0.333  0.309  0.000  1.0
  U  U3  1  0.691  0.667  0.000  1.0
  O  O4  1  0.084  0.916  0.500  1.0
  O  O5  1  0.018  0.648  0.000  1.0
  O  O6  1  0.352  0.982  0.000  1.0
  O  O7  1  0.427  0.573  0.000  1.0
  O  O8  1  0.340  0.342  0.500  1.0
  O  O9  1  0.658  0.660  0.500  1.0
  O  O10  1  0.685  0.062  0.000  1.0
  O  O11  1  0.938  0.315  0.000  1.0
[/CIF]
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The crystal structure described by LiU3O8 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing LiO5 trigonal bipyramids. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one U(1) and two equivalent U(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one U(1), and two equivalent U(2) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1) and two equivalent U(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one U(1) and two equivalent U(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiU3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.867
_cell_length_b   6.867
_cell_length_c   4.199
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   59.675
_symmetry_Int_Tables_number   1
_cell_volume   170.925
_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  0.387  0.613  0.500  1.0
  U  U1  1  0.034  0.966  0.000  1.0
  U  U2  1  0.333  0.309  0.000  1.0
  U  U3  1  0.691  0.667  0.000  1.0
  O  O4  1  0.084  0.916  0.500  1.0
  O  O5  1  0.018  0.648  0.000  1.0
  O  O6  1  0.352  0.982  0.000  1.0
  O  O7  1  0.427  0.573  0.000  1.0
  O  O8  1  0.340  0.342  0.500  1.0
  O  O9  1  0.658  0.660  0.500  1.0
  O  O10  1  0.685  0.062  0.000  1.0
  O  O11  1  0.938  0.315  0.000  1.0
[/CIF]
.