data_Sm2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   6.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2HgO4
_chemical_formula_sum   'Sm4 Hg2 O8'
_cell_volume   238.01
_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
  Sm  Sm10  1  0.69  0.69  0.15  1.0
  Sm  Sm11  1  0.15  0.69  0.69  1.0
  Sm  Sm12  1  0.69  0.15  0.69  1.0
  Sm  Sm13  1  0.15  0.15  0.15  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.46  0.46  0.46  1.0
  O  O2  1  0.81  0.02  0.02  1.0
  O  O3  1  0.81  0.81  0.81  1.0
  O  O4  1  0.02  0.81  0.02  1.0
  O  O5  1  0.27  0.27  0.48  1.0
  O  O6  1  0.02  0.02  0.81  1.0
  O  O7  1  0.27  0.48  0.27  1.0
  O  O8  1  0.48  0.48  0.48  1.0
  O  O9  1  0.48  0.27  0.27  1.0

data_Sm2HgO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   17.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sm2HgO4
_chemical_formula_sum   'Sm12 Hg6 O24'
_cell_volume   714.02
_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
  Sm  Sm0  9  0.03  0.51  0.82  1.0
  Sm  Sm1  3  0.0  0.0  0.85  1.0
  Hg  Hg2  3  0.0  0.0  0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.54  1.0
  O  O4  9  0.07  0.14  0.66  1.0
  O  O5  9  0.14  0.07  0.05  1.0
  O  O6  3  0.0  0.0  0.19  1.0
  O  O7  3  0.0  0.0  0.52  1.0

Sm Sm Sm Sm Hg Hg O O O O O O O O
Sm Sm Sm Sm Hg Hg O O O O O O O O 0 12 o o o 0 5 o o o 0 7 o o - 0 3 + o o 0 3 o + o 1 7 - o o 1 12 o o o 1 5 o o o 1 3 o + o 1 3 o o + 2 12 o o o 2 5 o o o 2 7 o - o 2 3 + o o 2 3 o o + 3 4 o o o 3 10 o o - 3 10 o o o 3 11 o - o 3 11 o o o 3 8 o - o 3 8 o o o 3 6 - o o 3 6 o o o 3 7 - - o 3 7 - o - 3 7 o - - 3 13 - o o 3 13 o o o 3 12 - o o 3 12 o - o 3 12 o o - 3 5 - o o 3 5 o - o 3 5 o o - 3 9 o o - 3 9 o o o 4 8 o - o 4 6 - o o 4 10 o o - 5 12 o o o 9 13 o o o 9 11 o o o 11 13 o o o 
Sm3OSmHgO3HgO4 crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three HgO4 clusters, three Sm3O clusters, and three SmHgO3 clusters. In each HgO4 cluster, Hg(2) is bonded in a single-bond geometry to one O(4) and three equivalent O(3) atoms. The Hg(2)-O(4) bond length is 0.39 Å. All Hg(2)-O(3) bond lengths are 2.14 Å. There are two inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one Hg(2) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Hg(2) and two equivalent O(3) atoms. Both O(3)-O(3) bond lengths are 1.45 Å. In each Sm3O cluster, Sm(1) is bonded in a 1-coordinate geometry to one O(2) atom. The Sm(1)-O(2) bond length is 1.90 Å. O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Sm(1) atoms. In each SmHgO3 cluster, Sm(2) is bonded in a single-bond geometry to one Hg(1) atom. The Sm(2)-Hg(1) bond length is 2.53 Å. Hg(1) is bonded in a 3-coordinate geometry to one Sm(2) and three equivalent O(1) atoms. All Hg(1)-O(1) bond lengths are 1.15 Å. O(1) is bonded in a distorted single-bond geometry to one Hg(1) atom.