The compound described by LiCr4(HgO4)2 crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 8-coordinate geometry to two equivalent Hg(1) and six equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to six equivalent O(2) atoms to form distorted edge-sharing CrO6 octahedra. Hg(1) is bonded in a 5-coordinate geometry to one Li(1), one O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cr(1) and one Hg(1) atom to form OCr3Hg tetrahedra that share corners with three equivalent O(1)Cr3Hg tetrahedra, corners with nine equivalent O(2)LiCr3Hg trigonal bipyramids, and edges with three equivalent O(2)LiCr3Hg trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one Cr(2), two equivalent Cr(1), and one Hg(1) atom to form distorted OLiCr3Hg trigonal bipyramids that share corners with three equivalent O(1)Cr3Hg tetrahedra, corners with six equivalent O(2)LiCr3Hg trigonal bipyramids,  an edgeedge with one O(1)Cr3Hg tetrahedra, and edges with six equivalent O(2)LiCr3Hg trigonal bipyramids. is represented by the CIF card [CIF]
data_LiCr4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.547
_cell_length_b   6.546
_cell_length_c   6.548
_cell_angle_alpha   56.040
_cell_angle_beta   56.027
_cell_angle_gamma   56.042
_symmetry_Int_Tables_number   1
_cell_volume   180.222
_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  0.500  0.500  0.500  1.0
  Cr  Cr1  1  1.000  0.500  1.000  1.0
  Cr  Cr2  1  0.500  1.000  0.000  1.0
  Cr  Cr3  1  1.000  0.000  0.500  1.0
  Cr  Cr4  1  0.000  0.000  1.000  1.0
  Hg  Hg5  1  0.650  0.650  0.650  1.0
  Hg  Hg6  1  0.350  0.350  0.350  1.0
  O  O7  1  0.779  0.779  0.779  1.0
  O  O8  1  0.238  0.238  0.801  1.0
  O  O9  1  0.238  0.801  0.238  1.0
  O  O10  1  0.801  0.238  0.238  1.0
  O  O11  1  0.762  0.199  0.762  1.0
  O  O12  1  0.199  0.762  0.762  1.0
  O  O13  1  0.221  0.221  0.221  1.0
  O  O14  1  0.762  0.762  0.199  1.0
[/CIF]
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The compound described by LiCr4(HgO4)2 crystallizes in the trigonal R-3m space group. Li(1) is bonded in a 8-coordinate geometry to two equivalent Hg(1) and six equivalent O(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing CrO6 octahedra. In the second Cr site, Cr(2) is bonded to six equivalent O(2) atoms to form distorted edge-sharing CrO6 octahedra. Hg(1) is bonded in a 5-coordinate geometry to one Li(1), one O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cr(1) and one Hg(1) atom to form OCr3Hg tetrahedra that share corners with three equivalent O(1)Cr3Hg tetrahedra, corners with nine equivalent O(2)LiCr3Hg trigonal bipyramids, and edges with three equivalent O(2)LiCr3Hg trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one Cr(2), two equivalent Cr(1), and one Hg(1) atom to form distorted OLiCr3Hg trigonal bipyramids that share corners with three equivalent O(1)Cr3Hg tetrahedra, corners with six equivalent O(2)LiCr3Hg trigonal bipyramids,  an edgeedge with one O(1)Cr3Hg tetrahedra, and edges with six equivalent O(2)LiCr3Hg trigonal bipyramids. is represented by the CIF card [CIF]
data_LiCr4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.547
_cell_length_b   6.546
_cell_length_c   6.548
_cell_angle_alpha   56.040
_cell_angle_beta   56.027
_cell_angle_gamma   56.042
_symmetry_Int_Tables_number   1
_cell_volume   180.222
_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  0.500  0.500  0.500  1.0
  Cr  Cr1  1  1.000  0.500  1.000  1.0
  Cr  Cr2  1  0.500  1.000  0.000  1.0
  Cr  Cr3  1  1.000  0.000  0.500  1.0
  Cr  Cr4  1  0.000  0.000  1.000  1.0
  Hg  Hg5  1  0.650  0.650  0.650  1.0
  Hg  Hg6  1  0.350  0.350  0.350  1.0
  O  O7  1  0.779  0.779  0.779  1.0
  O  O8  1  0.238  0.238  0.801  1.0
  O  O9  1  0.238  0.801  0.238  1.0
  O  O10  1  0.801  0.238  0.238  1.0
  O  O11  1  0.762  0.199  0.762  1.0
  O  O12  1  0.199  0.762  0.762  1.0
  O  O13  1  0.221  0.221  0.221  1.0
  O  O14  1  0.762  0.762  0.199  1.0
[/CIF]
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