The crystal structure described by LiUBO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent U(1)O7 pentagonal bipyramids and corners with two equivalent Li(1)O4 tetrahedra. U(1) is bonded to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent Li(1)O4 tetrahedra and edges with two equivalent U(1)O7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent U(1) and one B(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one U(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one U(1), and one B(1) atom to form distorted corner-sharing OLi2UB tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent U(1) and one B(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one U(1) atom. is represented by the CIF file [CIF]
data_LiUBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.692
_cell_length_b   5.901
_cell_length_c   6.874
_cell_angle_alpha   75.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.024
_cell_formula_units_Z   4
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  0.271  0.448  0.124  1.0
  Li  Li1  1  0.771  0.552  0.376  1.0
  Li  Li2  1  0.229  0.448  0.624  1.0
  Li  Li3  1  0.729  0.552  0.876  1.0
  U  U4  1  0.934  0.099  0.729  1.0
  U  U5  1  0.066  0.901  0.271  1.0
  U  U6  1  0.566  0.099  0.229  1.0
  U  U7  1  0.434  0.901  0.771  1.0
  B  B8  1  0.352  0.784  0.298  1.0
  B  B9  1  0.648  0.216  0.702  1.0
  B  B10  1  0.852  0.216  0.202  1.0
  B  B11  1  0.148  0.784  0.798  1.0
  O  O12  1  0.910  0.139  0.387  1.0
  O  O13  1  0.176  0.149  0.213  1.0
  O  O14  1  0.256  0.655  0.828  1.0
  O  O15  1  0.085  0.850  0.952  1.0
  O  O16  1  0.410  0.861  0.113  1.0
  O  O17  1  0.744  0.345  0.172  1.0
  O  O18  1  0.950  0.663  0.321  1.0
  O  O19  1  0.415  0.850  0.452  1.0
  O  O20  1  0.915  0.150  0.048  1.0
  O  O21  1  0.090  0.861  0.613  1.0
  O  O22  1  0.590  0.139  0.887  1.0
  O  O23  1  0.324  0.149  0.713  1.0
  O  O24  1  0.585  0.150  0.548  1.0
  O  O25  1  0.756  0.345  0.672  1.0
  O  O26  1  0.244  0.655  0.328  1.0
  O  O27  1  0.676  0.851  0.287  1.0
  O  O28  1  0.450  0.337  0.179  1.0
  O  O29  1  0.550  0.663  0.821  1.0
  O  O30  1  0.050  0.337  0.679  1.0
  O  O31  1  0.824  0.851  0.787  1.0
[/CIF]
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The crystal structure described by LiUBO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent U(1)O7 pentagonal bipyramids and corners with two equivalent Li(1)O4 tetrahedra. U(1) is bonded to one O(2), one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent Li(1)O4 tetrahedra and edges with two equivalent U(1)O7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent U(1) and one B(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one U(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one U(1), and one B(1) atom to form distorted corner-sharing OLi2UB tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent U(1) and one B(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one U(1) atom. is represented by the CIF file [CIF]
data_LiUBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.692
_cell_length_b   5.901
_cell_length_c   6.874
_cell_angle_alpha   75.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.024
_cell_formula_units_Z   4
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  0.271  0.448  0.124  1.0
  Li  Li1  1  0.771  0.552  0.376  1.0
  Li  Li2  1  0.229  0.448  0.624  1.0
  Li  Li3  1  0.729  0.552  0.876  1.0
  U  U4  1  0.934  0.099  0.729  1.0
  U  U5  1  0.066  0.901  0.271  1.0
  U  U6  1  0.566  0.099  0.229  1.0
  U  U7  1  0.434  0.901  0.771  1.0
  B  B8  1  0.352  0.784  0.298  1.0
  B  B9  1  0.648  0.216  0.702  1.0
  B  B10  1  0.852  0.216  0.202  1.0
  B  B11  1  0.148  0.784  0.798  1.0
  O  O12  1  0.910  0.139  0.387  1.0
  O  O13  1  0.176  0.149  0.213  1.0
  O  O14  1  0.256  0.655  0.828  1.0
  O  O15  1  0.085  0.850  0.952  1.0
  O  O16  1  0.410  0.861  0.113  1.0
  O  O17  1  0.744  0.345  0.172  1.0
  O  O18  1  0.950  0.663  0.321  1.0
  O  O19  1  0.415  0.850  0.452  1.0
  O  O20  1  0.915  0.150  0.048  1.0
  O  O21  1  0.090  0.861  0.613  1.0
  O  O22  1  0.590  0.139  0.887  1.0
  O  O23  1  0.324  0.149  0.713  1.0
  O  O24  1  0.585  0.150  0.548  1.0
  O  O25  1  0.756  0.345  0.672  1.0
  O  O26  1  0.244  0.655  0.328  1.0
  O  O27  1  0.676  0.851  0.287  1.0
  O  O28  1  0.450  0.337  0.179  1.0
  O  O29  1  0.550  0.663  0.821  1.0
  O  O30  1  0.050  0.337  0.679  1.0
  O  O31  1  0.824  0.851  0.787  1.0
[/CIF]
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