The material described by LaHg3 crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 6-coordinate geometry to six equivalent Hg(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to six equivalent Hg(2) atoms to form distorted edge-sharing HgHg6 pentagonal pyramids. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   4.040
_cell_length_c   8.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   120.855
_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
  La  La0  1  0.000  0.000  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.333  0.667  0.767  1.0
  Hg  Hg3  1  0.333  0.667  0.233  1.0
[/CIF]
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The material described by LaHg3 crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 6-coordinate geometry to six equivalent Hg(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to six equivalent Hg(2) atoms to form distorted edge-sharing HgHg6 pentagonal pyramids. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.040
_cell_length_b   4.040
_cell_length_c   8.548
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   120.855
_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
  La  La0  1  0.000  0.000  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  Hg  Hg2  1  0.333  0.667  0.767  1.0
  Hg  Hg3  1  0.333  0.667  0.233  1.0
[/CIF]
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