The compound described by LiUPO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-84°. There are two inequivalent U sites. In the first U site, U(1) is bonded to one O(10), one O(12), one O(3), one O(5), one O(6), and one O(7) atom to form UO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(2), one O(4), one O(9), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and  a cornercorner with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the second P site, P(2) is bonded to one O(11), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one U(1), and one P(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one U(2), and one P(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one U(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one U(1), and one P(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one U(2) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one U(1), and one P(2) atom. In the seventh O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one U(1) atom. In the eighth O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one U(1), and one P(1) atom. In the ninth O site, O(8) is bonded in a 1-coordinate geometry to two equivalent U(2) and one P(1) atom. In the tenth O site, O(9) is bonded in a bent 150 degrees geometry to one U(2) and one P(2) atom. In the eleventh O site, O(10) is bonded in a single-bond geometry to one U(1) atom. In the twelfth O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one U(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiUPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.123
_cell_length_b   10.074
_cell_length_c   10.972
_cell_angle_alpha   64.332
_cell_angle_beta   77.065
_cell_angle_gamma   77.288
_symmetry_Int_Tables_number   1
_cell_volume   492.474
_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  0.565  0.907  0.695  1.0
  Li  Li1  1  0.553  0.383  0.764  1.0
  Li  Li2  1  0.447  0.617  0.236  1.0
  Li  Li3  1  0.435  0.093  0.305  1.0
  U  U4  1  0.490  0.279  0.484  1.0
  U  U5  1  0.510  0.721  0.516  1.0
  U  U6  1  0.991  0.793  0.979  1.0
  U  U7  1  0.009  0.207  0.021  1.0
  P  P8  1  0.077  0.889  0.265  1.0
  P  P9  1  0.923  0.111  0.735  1.0
  P  P10  1  0.946  0.585  0.779  1.0
  P  P11  1  0.054  0.415  0.221  1.0
  O  O12  1  0.166  0.040  0.234  1.0
  O  O13  1  0.675  0.183  0.121  1.0
  O  O14  1  0.242  0.297  0.325  1.0
  O  O15  1  0.342  0.234  0.918  1.0
  O  O16  1  0.242  0.568  0.704  1.0
  O  O17  1  0.315  0.891  0.530  1.0
  O  O18  1  0.325  0.817  0.879  1.0
  O  O19  1  0.208  0.126  0.649  1.0
  O  O20  1  0.758  0.703  0.675  1.0
  O  O21  1  0.066  0.898  0.121  1.0
  O  O22  1  0.758  0.432  0.296  1.0
  O  O23  1  0.940  0.642  0.889  1.0
  O  O24  1  0.721  0.554  0.510  1.0
  O  O25  1  0.658  0.766  0.082  1.0
  O  O26  1  0.934  0.102  0.879  1.0
  O  O27  1  0.160  0.568  0.156  1.0
  O  O28  1  0.060  0.358  0.111  1.0
  O  O29  1  0.840  0.432  0.844  1.0
  O  O30  1  0.792  0.874  0.351  1.0
  O  O31  1  0.834  0.960  0.766  1.0
  O  O32  1  0.279  0.446  0.490  1.0
  O  O33  1  0.285  0.756  0.339  1.0
  O  O34  1  0.685  0.109  0.470  1.0
  O  O35  1  0.715  0.244  0.661  1.0
[/CIF]
.
The compound described by LiUPO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-84°. There are two inequivalent U sites. In the first U site, U(1) is bonded to one O(10), one O(12), one O(3), one O(5), one O(6), and one O(7) atom to form UO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second U site, U(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(2), one O(4), one O(9), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and  a cornercorner with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-51°. In the second P site, P(2) is bonded to one O(11), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-44°. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one U(1), and one P(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one U(2), and one P(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one U(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one U(1), and one P(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2) and one U(2) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one U(1), and one P(2) atom. In the seventh O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one U(1) atom. In the eighth O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one U(1), and one P(1) atom. In the ninth O site, O(8) is bonded in a 1-coordinate geometry to two equivalent U(2) and one P(1) atom. In the tenth O site, O(9) is bonded in a bent 150 degrees geometry to one U(2) and one P(2) atom. In the eleventh O site, O(10) is bonded in a single-bond geometry to one U(1) atom. In the twelfth O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(2), one U(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiUPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.123
_cell_length_b   10.074
_cell_length_c   10.972
_cell_angle_alpha   64.332
_cell_angle_beta   77.065
_cell_angle_gamma   77.288
_symmetry_Int_Tables_number   1
_cell_volume   492.474
_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  0.565  0.907  0.695  1.0
  Li  Li1  1  0.553  0.383  0.764  1.0
  Li  Li2  1  0.447  0.617  0.236  1.0
  Li  Li3  1  0.435  0.093  0.305  1.0
  U  U4  1  0.490  0.279  0.484  1.0
  U  U5  1  0.510  0.721  0.516  1.0
  U  U6  1  0.991  0.793  0.979  1.0
  U  U7  1  0.009  0.207  0.021  1.0
  P  P8  1  0.077  0.889  0.265  1.0
  P  P9  1  0.923  0.111  0.735  1.0
  P  P10  1  0.946  0.585  0.779  1.0
  P  P11  1  0.054  0.415  0.221  1.0
  O  O12  1  0.166  0.040  0.234  1.0
  O  O13  1  0.675  0.183  0.121  1.0
  O  O14  1  0.242  0.297  0.325  1.0
  O  O15  1  0.342  0.234  0.918  1.0
  O  O16  1  0.242  0.568  0.704  1.0
  O  O17  1  0.315  0.891  0.530  1.0
  O  O18  1  0.325  0.817  0.879  1.0
  O  O19  1  0.208  0.126  0.649  1.0
  O  O20  1  0.758  0.703  0.675  1.0
  O  O21  1  0.066  0.898  0.121  1.0
  O  O22  1  0.758  0.432  0.296  1.0
  O  O23  1  0.940  0.642  0.889  1.0
  O  O24  1  0.721  0.554  0.510  1.0
  O  O25  1  0.658  0.766  0.082  1.0
  O  O26  1  0.934  0.102  0.879  1.0
  O  O27  1  0.160  0.568  0.156  1.0
  O  O28  1  0.060  0.358  0.111  1.0
  O  O29  1  0.840  0.432  0.844  1.0
  O  O30  1  0.792  0.874  0.351  1.0
  O  O31  1  0.834  0.960  0.766  1.0
  O  O32  1  0.279  0.446  0.490  1.0
  O  O33  1  0.285  0.756  0.339  1.0
  O  O34  1  0.685  0.109  0.470  1.0
  O  O35  1  0.715  0.244  0.661  1.0
[/CIF]
.