The material described by LiIn4(HgO4)2 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent In(1), two equivalent In(2), two equivalent O(1), and two equivalent O(2) atoms to form LiIn4O4 tetrahedra that share corners with four equivalent Hg(1)O4 tetrahedra, corners with six equivalent O(3)In3Hg trigonal pyramids, and corners with six equivalent O(4)In3Hg trigonal pyramids. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form HgO4 tetrahedra that share corners with four equivalent Li(1)In4O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Hg(1), one In(1), and two equivalent In(2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Hg(1), one In(2), and two equivalent In(1) atoms. In the third O site, O(3) is bonded to one Hg(2), one In(1), and two equivalent In(2) atoms to form distorted OIn3Hg trigonal pyramids that share corners with three equivalent Li(1)In4O4 tetrahedra,  a cornercorner with one O(3)In3Hg trigonal pyramid, corners with two equivalent O(4)In3Hg trigonal pyramids,  an edgeedge with one O(3)In3Hg trigonal pyramid, and edges with two equivalent O(4)In3Hg trigonal pyramids. In the fourth O site, O(4) is bonded to one Hg(2), one In(2), and two equivalent In(1) atoms to form distorted OIn3Hg trigonal pyramids that share corners with three equivalent Li(1)In4O4 tetrahedra,  a cornercorner with one O(4)In3Hg trigonal pyramid, corners with two equivalent O(3)In3Hg trigonal pyramids,  an edgeedge with one O(4)In3Hg trigonal pyramid, and edges with two equivalent O(3)In3Hg trigonal pyramids. is represented by the CIF file [CIF]
data_LiIn4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.873
_cell_length_b   6.873
_cell_length_c   6.866
_cell_angle_alpha   60.034
_cell_angle_beta   60.034
_cell_angle_gamma   60.081
_symmetry_Int_Tables_number   1
_cell_volume   229.641
_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
  Li  Li0  1  0.374  0.374  0.376  1.0
  In  In1  1  0.508  0.508  0.977  1.0
  In  In2  1  0.508  0.976  0.508  1.0
  In  In3  1  0.976  0.508  0.508  1.0
  In  In4  1  0.508  0.508  0.508  1.0
  Hg  Hg5  1  0.125  0.125  0.125  1.0
  Hg  Hg6  1  0.875  0.875  0.875  1.0
  O  O7  1  0.268  0.268  0.269  1.0
  O  O8  1  0.693  0.269  0.269  1.0
  O  O9  1  0.733  0.733  0.299  1.0
  O  O10  1  0.733  0.300  0.734  1.0
  O  O11  1  0.269  0.693  0.269  1.0
  O  O12  1  0.268  0.268  0.695  1.0
  O  O13  1  0.300  0.733  0.734  1.0
  O  O14  1  0.733  0.733  0.734  1.0
[/CIF]
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The material described by LiIn4(HgO4)2 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent In(1), two equivalent In(2), two equivalent O(1), and two equivalent O(2) atoms to form LiIn4O4 tetrahedra that share corners with four equivalent Hg(1)O4 tetrahedra, corners with six equivalent O(3)In3Hg trigonal pyramids, and corners with six equivalent O(4)In3Hg trigonal pyramids. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form HgO4 tetrahedra that share corners with four equivalent Li(1)In4O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Hg(1), one In(1), and two equivalent In(2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Hg(1), one In(2), and two equivalent In(1) atoms. In the third O site, O(3) is bonded to one Hg(2), one In(1), and two equivalent In(2) atoms to form distorted OIn3Hg trigonal pyramids that share corners with three equivalent Li(1)In4O4 tetrahedra,  a cornercorner with one O(3)In3Hg trigonal pyramid, corners with two equivalent O(4)In3Hg trigonal pyramids,  an edgeedge with one O(3)In3Hg trigonal pyramid, and edges with two equivalent O(4)In3Hg trigonal pyramids. In the fourth O site, O(4) is bonded to one Hg(2), one In(2), and two equivalent In(1) atoms to form distorted OIn3Hg trigonal pyramids that share corners with three equivalent Li(1)In4O4 tetrahedra,  a cornercorner with one O(4)In3Hg trigonal pyramid, corners with two equivalent O(3)In3Hg trigonal pyramids,  an edgeedge with one O(4)In3Hg trigonal pyramid, and edges with two equivalent O(3)In3Hg trigonal pyramids. is represented by the CIF file [CIF]
data_LiIn4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.873
_cell_length_b   6.873
_cell_length_c   6.866
_cell_angle_alpha   60.034
_cell_angle_beta   60.034
_cell_angle_gamma   60.081
_symmetry_Int_Tables_number   1
_cell_volume   229.641
_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
  Li  Li0  1  0.374  0.374  0.376  1.0
  In  In1  1  0.508  0.508  0.977  1.0
  In  In2  1  0.508  0.976  0.508  1.0
  In  In3  1  0.976  0.508  0.508  1.0
  In  In4  1  0.508  0.508  0.508  1.0
  Hg  Hg5  1  0.125  0.125  0.125  1.0
  Hg  Hg6  1  0.875  0.875  0.875  1.0
  O  O7  1  0.268  0.268  0.269  1.0
  O  O8  1  0.693  0.269  0.269  1.0
  O  O9  1  0.733  0.733  0.299  1.0
  O  O10  1  0.733  0.300  0.734  1.0
  O  O11  1  0.269  0.693  0.269  1.0
  O  O12  1  0.268  0.268  0.695  1.0
  O  O13  1  0.300  0.733  0.734  1.0
  O  O14  1  0.733  0.733  0.734  1.0
[/CIF]
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