The compound described by Ba3Hg10In crystallizes in the orthorhombic Immm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Hg(1) and eight equivalent Hg(2) atoms to form distorted face-sharing BaHg12 cuboctahedra. In the second Ba site, Ba(2) is bonded in a 14-coordinate geometry to two equivalent Hg(3), six equivalent Hg(1), and six equivalent Hg(2) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 8-coordinate geometry to one Ba(1), three equivalent Ba(2), three equivalent Hg(2), and one In(1) atom. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), one Hg(2), one Hg(3), and three equivalent Hg(1) atoms. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Hg(2), and two equivalent In(1) atoms. In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1) and four equivalent Hg(3) atoms. is represented by the CIF file [CIF]
data_Ba3InHg10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.665
_cell_length_b   9.665
_cell_length_c   9.665
_cell_angle_alpha   147.779
_cell_angle_beta   116.719
_cell_angle_gamma   72.806
_symmetry_Int_Tables_number   1
_cell_volume   423.083
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.701  0.701  0.000  1.0
  Ba  Ba2  1  0.299  0.299  0.000  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  Hg  Hg4  1  0.143  0.859  0.284  1.0
  Hg  Hg5  1  0.857  0.141  0.716  1.0
  Hg  Hg6  1  0.425  0.141  0.284  1.0
  Hg  Hg7  1  0.575  0.859  0.716  1.0
  Hg  Hg8  1  0.018  0.662  0.355  1.0
  Hg  Hg9  1  0.982  0.338  0.645  1.0
  Hg  Hg10  1  0.693  0.338  0.355  1.0
  Hg  Hg11  1  0.307  0.662  0.645  1.0
  Hg  Hg12  1  0.679  0.500  0.179  1.0
  Hg  Hg13  1  0.321  0.500  0.821  1.0
[/CIF]
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The compound described by Ba3Hg10In crystallizes in the orthorhombic Immm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Hg(1) and eight equivalent Hg(2) atoms to form distorted face-sharing BaHg12 cuboctahedra. In the second Ba site, Ba(2) is bonded in a 14-coordinate geometry to two equivalent Hg(3), six equivalent Hg(1), and six equivalent Hg(2) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 8-coordinate geometry to one Ba(1), three equivalent Ba(2), three equivalent Hg(2), and one In(1) atom. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), one Hg(2), one Hg(3), and three equivalent Hg(1) atoms. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Hg(2), and two equivalent In(1) atoms. In(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1) and four equivalent Hg(3) atoms. is represented by the CIF file [CIF]
data_Ba3InHg10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.665
_cell_length_b   9.665
_cell_length_c   9.665
_cell_angle_alpha   147.779
_cell_angle_beta   116.719
_cell_angle_gamma   72.806
_symmetry_Int_Tables_number   1
_cell_volume   423.083
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.701  0.701  0.000  1.0
  Ba  Ba2  1  0.299  0.299  0.000  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  Hg  Hg4  1  0.143  0.859  0.284  1.0
  Hg  Hg5  1  0.857  0.141  0.716  1.0
  Hg  Hg6  1  0.425  0.141  0.284  1.0
  Hg  Hg7  1  0.575  0.859  0.716  1.0
  Hg  Hg8  1  0.018  0.662  0.355  1.0
  Hg  Hg9  1  0.982  0.338  0.645  1.0
  Hg  Hg10  1  0.693  0.338  0.355  1.0
  Hg  Hg11  1  0.307  0.662  0.645  1.0
  Hg  Hg12  1  0.679  0.500  0.179  1.0
  Hg  Hg13  1  0.321  0.500  0.821  1.0
[/CIF]
.