The crystal structure described by LiCr4(HgO4)2 crystallizes in the cubic F-43m space group. Li(1) is bonded to four equivalent Cr(1) and four equivalent O(1) atoms to form LiCr4O4 tetrahedra that share corners with four equivalent Hg(1)O4 tetrahedra and corners with twelve equivalent O(2)Cr3Hg tetrahedra. Cr(1) is bonded in a 7-coordinate geometry to one Li(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with four equivalent Li(1)Cr4O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Cr(1), and one Hg(1) atom. In the second O site, O(2) is bonded to three equivalent Cr(1) and one Hg(2) atom to form distorted OCr3Hg tetrahedra that share corners with three equivalent Li(1)Cr4O4 tetrahedra, corners with three equivalent O(2)Cr3Hg tetrahedra, and edges with three equivalent O(2)Cr3Hg tetrahedra. is represented by the CIF card [CIF]
data_LiCr4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.486
_cell_length_b   6.485
_cell_length_c   6.487
_cell_angle_alpha   59.991
_cell_angle_beta   59.979
_cell_angle_gamma   59.992
_symmetry_Int_Tables_number   1
_cell_volume   192.887
_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  0.875  0.875  0.875  1.0
  Cr  Cr1  1  0.008  0.475  0.008  1.0
  Cr  Cr2  1  0.475  0.008  0.008  1.0
  Cr  Cr3  1  0.008  0.008  0.475  1.0
  Cr  Cr4  1  0.008  0.008  0.008  1.0
  Hg  Hg5  1  0.625  0.625  0.625  1.0
  Hg  Hg6  1  0.375  0.375  0.375  1.0
  O  O7  1  0.768  0.768  0.769  1.0
  O  O8  1  0.226  0.226  0.821  1.0
  O  O9  1  0.226  0.821  0.226  1.0
  O  O10  1  0.821  0.226  0.226  1.0
  O  O11  1  0.768  0.195  0.769  1.0
  O  O12  1  0.195  0.769  0.768  1.0
  O  O13  1  0.226  0.226  0.226  1.0
  O  O14  1  0.768  0.768  0.195  1.0
[/CIF]
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The crystal structure described by LiCr4(HgO4)2 crystallizes in the cubic F-43m space group. Li(1) is bonded to four equivalent Cr(1) and four equivalent O(1) atoms to form LiCr4O4 tetrahedra that share corners with four equivalent Hg(1)O4 tetrahedra and corners with twelve equivalent O(2)Cr3Hg tetrahedra. Cr(1) is bonded in a 7-coordinate geometry to one Li(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with four equivalent Li(1)Cr4O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Cr(1), and one Hg(1) atom. In the second O site, O(2) is bonded to three equivalent Cr(1) and one Hg(2) atom to form distorted OCr3Hg tetrahedra that share corners with three equivalent Li(1)Cr4O4 tetrahedra, corners with three equivalent O(2)Cr3Hg tetrahedra, and edges with three equivalent O(2)Cr3Hg tetrahedra. is represented by the CIF card [CIF]
data_LiCr4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.486
_cell_length_b   6.485
_cell_length_c   6.487
_cell_angle_alpha   59.991
_cell_angle_beta   59.979
_cell_angle_gamma   59.992
_symmetry_Int_Tables_number   1
_cell_volume   192.887
_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  0.875  0.875  0.875  1.0
  Cr  Cr1  1  0.008  0.475  0.008  1.0
  Cr  Cr2  1  0.475  0.008  0.008  1.0
  Cr  Cr3  1  0.008  0.008  0.475  1.0
  Cr  Cr4  1  0.008  0.008  0.008  1.0
  Hg  Hg5  1  0.625  0.625  0.625  1.0
  Hg  Hg6  1  0.375  0.375  0.375  1.0
  O  O7  1  0.768  0.768  0.769  1.0
  O  O8  1  0.226  0.226  0.821  1.0
  O  O9  1  0.226  0.821  0.226  1.0
  O  O10  1  0.821  0.226  0.226  1.0
  O  O11  1  0.768  0.195  0.769  1.0
  O  O12  1  0.195  0.769  0.768  1.0
  O  O13  1  0.226  0.226  0.226  1.0
  O  O14  1  0.768  0.768  0.195  1.0
[/CIF]
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