data_AcU2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcU2O4
_chemical_formula_sum   'Ac2 U4 O8'
_cell_volume   270.55
_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
  Ac  Ac0  1  0.0  0.0  0.0  1.0
  Ac  Ac1  1  0.57  0.57  0.57  1.0
  U  U10  1  0.85  0.85  0.42  1.0
  U  U11  1  0.42  0.85  0.85  1.0
  U  U12  1  0.42  0.42  0.42  1.0
  U  U13  1  0.85  0.42  0.85  1.0
  O  O2  1  0.97  0.97  0.97  1.0
  O  O3  1  0.97  0.29  0.29  1.0
  O  O4  1  0.29  0.97  0.29  1.0
  O  O5  1  0.54  0.54  0.86  1.0
  O  O6  1  0.29  0.29  0.97  1.0
  O  O7  1  0.54  0.86  0.54  1.0
  O  O8  1  0.86  0.86  0.86  1.0
  O  O9  1  0.86  0.54  0.54  1.0

data_AcU2O4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   17.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcU2O4
_chemical_formula_sum   'Ac6 U12 O24'
_cell_volume   811.64
_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
  Ac  Ac0  3  0.0  0.0  0.0  1.0
  Ac  Ac1  3  0.0  0.0  0.43  1.0
  U  U2  9  0.19  0.38  0.96  1.0
  U  U3  3  0.0  0.0  0.58  1.0
  O  O4  9  0.11  0.21  0.35  1.0
  O  O5  9  0.21  0.11  0.81  1.0
  O  O6  3  0.0  0.0  0.03  1.0
  O  O7  3  0.0  0.0  0.14  1.0

Ac Ac U U U U O O O O O O O O
U2AcO4 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three U2AcO4 clusters. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 2-coordinate geometry to one O(4) and two equivalent O(3) atoms. The U(1)-O(4) bond length is 3.30 Å. Both U(1)-O(3) bond lengths are 1.94 Å. In the second U site, U(2) is bonded in a distorted single-bond geometry to one Ac(2) atom. The U(2)-Ac(2) bond length is 2.67 Å. There are two inequivalent Ac sites. In the first Ac site, Ac(1) is bonded in a single-bond geometry to one O(1) atom. The Ac(1)-O(1) bond length is 0.48 Å. In the second Ac site, Ac(2) is bonded in a 3-coordinate geometry to one U(2), three equivalent O(2), and three equivalent O(3) atoms. All Ac(2)-O(2) bond lengths are 2.97 Å. All Ac(2)-O(3) bond lengths are 1.96 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ac(1) and one O(4) atom. The O(1)-O(4) bond length is 2.00 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ac(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent U(1) and one Ac(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to three equivalent U(1) and one O(1) atom.