The structure described by VHg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to twelve equivalent Hg(1) atoms to form VHg12 cuboctahedra that share corners with six equivalent V(1)Hg12 cuboctahedra, corners with twelve equivalent Hg(1)V4Hg8 cuboctahedra, edges with eighteen equivalent Hg(1)V4Hg8 cuboctahedra, faces with eight equivalent V(1)Hg12 cuboctahedra, and faces with twelve equivalent Hg(1)V4Hg8 cuboctahedra. Hg(1) is bonded to four equivalent V(1) and eight equivalent Hg(1) atoms to form distorted HgV4Hg8 cuboctahedra that share corners with four equivalent V(1)Hg12 cuboctahedra, corners with fourteen equivalent Hg(1)V4Hg8 cuboctahedra, edges with six equivalent V(1)Hg12 cuboctahedra, edges with twelve equivalent Hg(1)V4Hg8 cuboctahedra, faces with four equivalent V(1)Hg12 cuboctahedra, and faces with sixteen equivalent Hg(1)V4Hg8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_VHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   6.287
_cell_length_c   4.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.334
_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
  V  V0  1  0.333  0.667  0.750  1.0
  V  V1  1  0.667  0.333  0.250  1.0
  Hg  Hg2  1  0.171  0.342  0.250  1.0
  Hg  Hg3  1  0.658  0.829  0.250  1.0
  Hg  Hg4  1  0.171  0.829  0.250  1.0
  Hg  Hg5  1  0.829  0.658  0.750  1.0
  Hg  Hg6  1  0.342  0.171  0.750  1.0
  Hg  Hg7  1  0.829  0.171  0.750  1.0
[/CIF]
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The structure described by VHg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. V(1) is bonded to twelve equivalent Hg(1) atoms to form VHg12 cuboctahedra that share corners with six equivalent V(1)Hg12 cuboctahedra, corners with twelve equivalent Hg(1)V4Hg8 cuboctahedra, edges with eighteen equivalent Hg(1)V4Hg8 cuboctahedra, faces with eight equivalent V(1)Hg12 cuboctahedra, and faces with twelve equivalent Hg(1)V4Hg8 cuboctahedra. Hg(1) is bonded to four equivalent V(1) and eight equivalent Hg(1) atoms to form distorted HgV4Hg8 cuboctahedra that share corners with four equivalent V(1)Hg12 cuboctahedra, corners with fourteen equivalent Hg(1)V4Hg8 cuboctahedra, edges with six equivalent V(1)Hg12 cuboctahedra, edges with twelve equivalent Hg(1)V4Hg8 cuboctahedra, faces with four equivalent V(1)Hg12 cuboctahedra, and faces with sixteen equivalent Hg(1)V4Hg8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_VHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   6.287
_cell_length_c   4.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.334
_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
  V  V0  1  0.333  0.667  0.750  1.0
  V  V1  1  0.667  0.333  0.250  1.0
  Hg  Hg2  1  0.171  0.342  0.250  1.0
  Hg  Hg3  1  0.658  0.829  0.250  1.0
  Hg  Hg4  1  0.171  0.829  0.250  1.0
  Hg  Hg5  1  0.829  0.658  0.750  1.0
  Hg  Hg6  1  0.342  0.171  0.750  1.0
  Hg  Hg7  1  0.829  0.171  0.750  1.0
[/CIF]
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