The material structure described by CaHg3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded to four equivalent Hg(2) and eight equivalent Hg(1) atoms to form a mixture of corner and face-sharing CaHg12 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_CaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.837
_cell_length_b   6.837
_cell_length_c   5.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.868
_symmetry_Int_Tables_number   1
_cell_volume   204.757
_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
  Ca  Ca0  1  0.667  0.333  0.250  1.0
  Ca  Ca1  1  0.333  0.667  0.750  1.0
  Hg  Hg2  1  0.672  0.835  0.250  1.0
  Hg  Hg3  1  0.166  0.834  0.250  1.0
  Hg  Hg4  1  0.165  0.328  0.250  1.0
  Hg  Hg5  1  0.328  0.165  0.750  1.0
  Hg  Hg6  1  0.834  0.166  0.750  1.0
  Hg  Hg7  1  0.835  0.672  0.750  1.0
[/CIF]
.
The material structure described by CaHg3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded to four equivalent Hg(2) and eight equivalent Hg(1) atoms to form a mixture of corner and face-sharing CaHg12 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to four equivalent Ca(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted see-saw-like geometry to four equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_CaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.837
_cell_length_b   6.837
_cell_length_c   5.216
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.868
_symmetry_Int_Tables_number   1
_cell_volume   204.757
_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
  Ca  Ca0  1  0.667  0.333  0.250  1.0
  Ca  Ca1  1  0.333  0.667  0.750  1.0
  Hg  Hg2  1  0.672  0.835  0.250  1.0
  Hg  Hg3  1  0.166  0.834  0.250  1.0
  Hg  Hg4  1  0.165  0.328  0.250  1.0
  Hg  Hg5  1  0.328  0.165  0.750  1.0
  Hg  Hg6  1  0.834  0.166  0.750  1.0
  Hg  Hg7  1  0.835  0.672  0.750  1.0
[/CIF]
.