The crystal structure described by LiIn4(HgO4)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 8-coordinate geometry to one Hg(1), one Hg(2), one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Li(1), one O(1), one O(5), and two equivalent O(2) atoms. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one Li(1), one O(4), one O(6), and two equivalent O(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing InO6 octahedra. In the second In site, In(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing InO6 octahedra. In the third In site, In(3) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing InO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Hg(1), one In(2), and two equivalent In(1) atoms to form distorted OLiIn3Hg square pyramids that share corners with two equivalent O(3)LiIn3Hg square pyramids, corners with four equivalent O(6)LiIn3Hg square pyramids,  a cornercorner with one O(5)In3Hg tetrahedra, corners with two equivalent O(4)In3Hg tetrahedra, edges with two equivalent O(3)LiIn3Hg square pyramids, edges with four equivalent O(2)LiIn3Hg square pyramids, and  an edgeedge with one O(5)In3Hg tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Hg(1), one In(1), one In(2), and one In(3) atom to form OLiIn3Hg square pyramids that share  a cornercorner with one O(6)LiIn3Hg square pyramid, corners with five equivalent O(3)LiIn3Hg square pyramids,  a cornercorner with one O(5)In3Hg tetrahedra, corners with two equivalent O(4)In3Hg tetrahedra,  an edgeedge with one O(3)LiIn3Hg square pyramid,  an edgeedge with one O(6)LiIn3Hg square pyramid, edges with two equivalent O(1)LiIn3Hg square pyramids, edges with two equivalent O(2)LiIn3Hg square pyramids, and  an edgeedge with one O(5)In3Hg tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Hg(2), one In(1), one In(2), and one In(3) atom to form OLiIn3Hg square pyramids that share  a cornercorner with one O(1)LiIn3Hg square pyramid, corners with five equivalent O(2)LiIn3Hg square pyramids,  a cornercorner with one O(4)In3Hg tetrahedra, corners with two equivalent O(5)In3Hg tetrahedra,  an edgeedge with one O(1)LiIn3Hg square pyramid,  an edgeedge with one O(2)LiIn3Hg square pyramid, edges with two equivalent O(3)LiIn3Hg square pyramids, edges with two equivalent O(6)LiIn3Hg square pyramids, and  an edgeedge with one O(4)In3Hg tetrahedra. In the fourth O site, O(4) is bonded to one Hg(2), one In(3), and two equivalent In(1) atoms to form OIn3Hg tetrahedra that share  a cornercorner with one O(6)LiIn3Hg square pyramid, corners with two equivalent O(1)LiIn3Hg square pyramids, corners with two equivalent O(3)LiIn3Hg square pyramids, corners with four equivalent O(2)LiIn3Hg square pyramids, corners with three equivalent O(5)In3Hg tetrahedra,  an edgeedge with one O(6)LiIn3Hg square pyramid, and edges with two equivalent O(3)LiIn3Hg square pyramids. In the fifth O site, O(5) is bonded to one Hg(1), one In(3), and two equivalent In(1) atoms to form OIn3Hg tetrahedra that share  a cornercorner with one O(1)LiIn3Hg square pyramid, corners with two equivalent O(2)LiIn3Hg square pyramids, corners with two equivalent O(6)LiIn3Hg square pyramids, corners with four equivalent O(3)LiIn3Hg square pyramids, corners with three equivalent O(4)In3Hg tetrahedra,  an edgeedge with one O(1)LiIn3Hg square pyramid, and edges with two equivalent O(2)LiIn3Hg square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Hg(2), one In(2), and two equivalent In(1) atoms to form OLiIn3Hg square pyramids that share corners with two equivalent O(2)LiIn3Hg square pyramids, corners with four equivalent O(1)LiIn3Hg square pyramids,  a cornercorner with one O(4)In3Hg tetrahedra, corners with two equivalent O(5)In3Hg tetrahedra, edges with two equivalent O(2)LiIn3Hg square pyramids, edges with four equivalent O(3)LiIn3Hg square pyramids, and  an edgeedge with one O(4)In3Hg tetrahedra. is represented by the CIF card [CIF]
data_LiIn4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.585
_cell_length_b   6.880
_cell_length_c   6.585
_cell_angle_alpha   61.417
_cell_angle_beta   60.017
_cell_angle_gamma   61.417
_symmetry_Int_Tables_number   1
_cell_volume   215.388
_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  0.001  0.500  0.001  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.500  0.000  0.500  1.0
  In  In3  1  0.000  0.500  0.500  1.0
  In  In4  1  0.500  0.500  0.500  1.0
  Hg  Hg5  1  0.146  0.061  0.146  1.0
  Hg  Hg6  1  0.853  0.939  0.853  1.0
  O  O7  1  0.258  0.271  0.258  1.0
  O  O8  1  0.712  0.271  0.259  1.0
  O  O9  1  0.742  0.729  0.288  1.0
  O  O10  1  0.727  0.319  0.727  1.0
  O  O11  1  0.273  0.681  0.273  1.0
  O  O12  1  0.259  0.271  0.712  1.0
  O  O13  1  0.288  0.729  0.742  1.0
  O  O14  1  0.741  0.729  0.741  1.0
[/CIF]
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The crystal structure described by LiIn4(HgO4)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 8-coordinate geometry to one Hg(1), one Hg(2), one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Li(1), one O(1), one O(5), and two equivalent O(2) atoms. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one Li(1), one O(4), one O(6), and two equivalent O(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing InO6 octahedra. In the second In site, In(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing InO6 octahedra. In the third In site, In(3) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing InO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Hg(1), one In(2), and two equivalent In(1) atoms to form distorted OLiIn3Hg square pyramids that share corners with two equivalent O(3)LiIn3Hg square pyramids, corners with four equivalent O(6)LiIn3Hg square pyramids,  a cornercorner with one O(5)In3Hg tetrahedra, corners with two equivalent O(4)In3Hg tetrahedra, edges with two equivalent O(3)LiIn3Hg square pyramids, edges with four equivalent O(2)LiIn3Hg square pyramids, and  an edgeedge with one O(5)In3Hg tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Hg(1), one In(1), one In(2), and one In(3) atom to form OLiIn3Hg square pyramids that share  a cornercorner with one O(6)LiIn3Hg square pyramid, corners with five equivalent O(3)LiIn3Hg square pyramids,  a cornercorner with one O(5)In3Hg tetrahedra, corners with two equivalent O(4)In3Hg tetrahedra,  an edgeedge with one O(3)LiIn3Hg square pyramid,  an edgeedge with one O(6)LiIn3Hg square pyramid, edges with two equivalent O(1)LiIn3Hg square pyramids, edges with two equivalent O(2)LiIn3Hg square pyramids, and  an edgeedge with one O(5)In3Hg tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Hg(2), one In(1), one In(2), and one In(3) atom to form OLiIn3Hg square pyramids that share  a cornercorner with one O(1)LiIn3Hg square pyramid, corners with five equivalent O(2)LiIn3Hg square pyramids,  a cornercorner with one O(4)In3Hg tetrahedra, corners with two equivalent O(5)In3Hg tetrahedra,  an edgeedge with one O(1)LiIn3Hg square pyramid,  an edgeedge with one O(2)LiIn3Hg square pyramid, edges with two equivalent O(3)LiIn3Hg square pyramids, edges with two equivalent O(6)LiIn3Hg square pyramids, and  an edgeedge with one O(4)In3Hg tetrahedra. In the fourth O site, O(4) is bonded to one Hg(2), one In(3), and two equivalent In(1) atoms to form OIn3Hg tetrahedra that share  a cornercorner with one O(6)LiIn3Hg square pyramid, corners with two equivalent O(1)LiIn3Hg square pyramids, corners with two equivalent O(3)LiIn3Hg square pyramids, corners with four equivalent O(2)LiIn3Hg square pyramids, corners with three equivalent O(5)In3Hg tetrahedra,  an edgeedge with one O(6)LiIn3Hg square pyramid, and edges with two equivalent O(3)LiIn3Hg square pyramids. In the fifth O site, O(5) is bonded to one Hg(1), one In(3), and two equivalent In(1) atoms to form OIn3Hg tetrahedra that share  a cornercorner with one O(1)LiIn3Hg square pyramid, corners with two equivalent O(2)LiIn3Hg square pyramids, corners with two equivalent O(6)LiIn3Hg square pyramids, corners with four equivalent O(3)LiIn3Hg square pyramids, corners with three equivalent O(4)In3Hg tetrahedra,  an edgeedge with one O(1)LiIn3Hg square pyramid, and edges with two equivalent O(2)LiIn3Hg square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Hg(2), one In(2), and two equivalent In(1) atoms to form OLiIn3Hg square pyramids that share corners with two equivalent O(2)LiIn3Hg square pyramids, corners with four equivalent O(1)LiIn3Hg square pyramids,  a cornercorner with one O(4)In3Hg tetrahedra, corners with two equivalent O(5)In3Hg tetrahedra, edges with two equivalent O(2)LiIn3Hg square pyramids, edges with four equivalent O(3)LiIn3Hg square pyramids, and  an edgeedge with one O(4)In3Hg tetrahedra. is represented by the CIF card [CIF]
data_LiIn4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.585
_cell_length_b   6.880
_cell_length_c   6.585
_cell_angle_alpha   61.417
_cell_angle_beta   60.017
_cell_angle_gamma   61.417
_symmetry_Int_Tables_number   1
_cell_volume   215.388
_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  0.001  0.500  0.001  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.500  0.000  0.500  1.0
  In  In3  1  0.000  0.500  0.500  1.0
  In  In4  1  0.500  0.500  0.500  1.0
  Hg  Hg5  1  0.146  0.061  0.146  1.0
  Hg  Hg6  1  0.853  0.939  0.853  1.0
  O  O7  1  0.258  0.271  0.258  1.0
  O  O8  1  0.712  0.271  0.259  1.0
  O  O9  1  0.742  0.729  0.288  1.0
  O  O10  1  0.727  0.319  0.727  1.0
  O  O11  1  0.273  0.681  0.273  1.0
  O  O12  1  0.259  0.271  0.712  1.0
  O  O13  1  0.288  0.729  0.742  1.0
  O  O14  1  0.741  0.729  0.741  1.0
[/CIF]
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