The material described by UHg3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. U(1) is bonded to six equivalent U(1) and six equivalent Hg(2) atoms to form UU6Hg6 cuboctahedra that share corners with six equivalent U(1)U6Hg6 cuboctahedra, corners with twelve equivalent Hg(1)Hg12 cuboctahedra, edges with six equivalent U(1)U6Hg6 cuboctahedra, edges with twelve equivalent Hg(2)U3Hg9 cuboctahedra, faces with two equivalent Hg(1)Hg12 cuboctahedra, faces with six equivalent U(1)U6Hg6 cuboctahedra, and faces with twelve equivalent Hg(2)U3Hg9 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to six equivalent Hg(1) and six equivalent Hg(2) atoms to form HgHg12 cuboctahedra that share corners with six equivalent Hg(1)Hg12 cuboctahedra, corners with twelve equivalent U(1)U6Hg6 cuboctahedra, edges with six equivalent Hg(1)Hg12 cuboctahedra, edges with twelve equivalent Hg(2)U3Hg9 cuboctahedra, faces with two equivalent U(1)U6Hg6 cuboctahedra, faces with six equivalent Hg(1)Hg12 cuboctahedra, and faces with twelve equivalent Hg(2)U3Hg9 cuboctahedra. In the second Hg site, Hg(2) is bonded to three equivalent U(1), three equivalent Hg(1), and six equivalent Hg(2) atoms to form distorted HgU3Hg9 cuboctahedra that share corners with eighteen equivalent Hg(2)U3Hg9 cuboctahedra, edges with six equivalent U(1)U6Hg6 cuboctahedra, edges with six equivalent Hg(1)Hg12 cuboctahedra, edges with six equivalent Hg(2)U3Hg9 cuboctahedra, faces with six equivalent U(1)U6Hg6 cuboctahedra, faces with six equivalent Hg(1)Hg12 cuboctahedra, and faces with eight equivalent Hg(2)U3Hg9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_UHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.175
_cell_length_b   3.175
_cell_length_c   10.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.860
_cell_formula_units_Z   1
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  U0  1  0.333  0.667  0.500  1.0
  Hg  Hg1  1  0.333  0.667  0.000  1.0
  Hg  Hg2  1  0.000  0.000  0.752  1.0
  Hg  Hg3  1  0.000  0.000  0.248  1.0
[/CIF]
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The material described by UHg3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. U(1) is bonded to six equivalent U(1) and six equivalent Hg(2) atoms to form UU6Hg6 cuboctahedra that share corners with six equivalent U(1)U6Hg6 cuboctahedra, corners with twelve equivalent Hg(1)Hg12 cuboctahedra, edges with six equivalent U(1)U6Hg6 cuboctahedra, edges with twelve equivalent Hg(2)U3Hg9 cuboctahedra, faces with two equivalent Hg(1)Hg12 cuboctahedra, faces with six equivalent U(1)U6Hg6 cuboctahedra, and faces with twelve equivalent Hg(2)U3Hg9 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to six equivalent Hg(1) and six equivalent Hg(2) atoms to form HgHg12 cuboctahedra that share corners with six equivalent Hg(1)Hg12 cuboctahedra, corners with twelve equivalent U(1)U6Hg6 cuboctahedra, edges with six equivalent Hg(1)Hg12 cuboctahedra, edges with twelve equivalent Hg(2)U3Hg9 cuboctahedra, faces with two equivalent U(1)U6Hg6 cuboctahedra, faces with six equivalent Hg(1)Hg12 cuboctahedra, and faces with twelve equivalent Hg(2)U3Hg9 cuboctahedra. In the second Hg site, Hg(2) is bonded to three equivalent U(1), three equivalent Hg(1), and six equivalent Hg(2) atoms to form distorted HgU3Hg9 cuboctahedra that share corners with eighteen equivalent Hg(2)U3Hg9 cuboctahedra, edges with six equivalent U(1)U6Hg6 cuboctahedra, edges with six equivalent Hg(1)Hg12 cuboctahedra, edges with six equivalent Hg(2)U3Hg9 cuboctahedra, faces with six equivalent U(1)U6Hg6 cuboctahedra, faces with six equivalent Hg(1)Hg12 cuboctahedra, and faces with eight equivalent Hg(2)U3Hg9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_UHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.175
_cell_length_b   3.175
_cell_length_c   10.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.860
_cell_formula_units_Z   1
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  U0  1  0.333  0.667  0.500  1.0
  Hg  Hg1  1  0.333  0.667  0.000  1.0
  Hg  Hg2  1  0.000  0.000  0.752  1.0
  Hg  Hg3  1  0.000  0.000  0.248  1.0
[/CIF]
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