data_U2BeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2BeO4
_chemical_formula_sum   'U4 Be2 O8'
_cell_volume   183.47
_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
  U  U10  1  0.38  0.38  0.64  1.0
  U  U11  1  0.64  0.64  0.64  1.0
  U  U12  1  0.38  0.64  0.38  1.0
  U  U13  1  0.64  0.38  0.38  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.26  0.26  0.26  1.0
  O  O2  1  0.5  0.5  0.03  1.0
  O  O3  1  0.24  0.24  0.24  1.0
  O  O4  1  0.24  0.78  0.78  1.0
  O  O5  1  0.78  0.24  0.78  1.0
  O  O6  1  0.5  0.03  0.5  1.0
  O  O7  1  0.03  0.5  0.5  1.0
  O  O8  1  0.03  0.03  0.03  1.0
  O  O9  1  0.78  0.78  0.24  1.0

data_U2BeO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   15.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   U2BeO4
_chemical_formula_sum   'U12 Be6 O24'
_cell_volume   550.41
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  U  U0  9  0.09  0.17  0.53  1.0
  U  U1  3  0.0  0.0  0.36  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Be  Be3  3  0.0  0.0  0.74  1.0
  O  O4  9  0.02  0.51  0.73  1.0
  O  O5  9  0.18  0.35  0.32  1.0
  O  O6  3  0.0  0.0  0.76  1.0
  O  O7  3  0.0  0.0  0.97  1.0

U U U U Be Be O O O O O O O O
BeU2O4 crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to one O(4) and three equivalent O(3) atoms. The Be(1)-O(4) bond length is 0.47 Å. All Be(1)-O(3) bond lengths are 2.03 Å. In the second Be site, Be(2) is bonded in a single-bond geometry to one O(2) and three equivalent O(1) atoms. The Be(2)-O(2) bond length is 0.16 Å. All Be(2)-O(1) bond lengths are 2.21 Å. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent U(1), one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Both U(1)-U(1) bond lengths are 1.63 Å. The U(1)-O(2) bond length is 3.24 Å. The U(1)-O(4) bond length is 3.19 Å. Both U(1)-O(1) bond lengths are 2.45 Å. Both U(1)-O(3) bond lengths are 2.66 Å. In the second U site, U(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. All U(2)-O(1) bond lengths are 2.05 Å. All U(2)-O(3) bond lengths are 2.05 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Be(2), one U(2), and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Be(2) and three equivalent U(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Be(1), one U(2), and two equivalent U(1) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one Be(1) and three equivalent U(1) atoms.