The material described by K5Hg7 is Titanium Disilicide-like structured and crystallizes in the orthorhombic Pbcm space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent Hg(2), two equivalent Hg(4), and four equivalent Hg(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent Hg(1), two equivalent Hg(2), two equivalent Hg(4), and four equivalent Hg(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent Hg(3), two equivalent Hg(4), and four equivalent Hg(1) atoms. In the fourth K site, K(4) is bonded in a 12-coordinate geometry to four equivalent Hg(1), four equivalent Hg(2), and four equivalent Hg(3) atoms. In the fifth K site, K(5) is bonded in a 10-coordinate geometry to two equivalent Hg(4), four equivalent Hg(1), and four equivalent Hg(2) atoms. There are four inequivalent Hg sites. In the first Hg site, Hg(3) is bonded in a 10-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), two equivalent K(4), one Hg(1), one Hg(2), and one Hg(3) atom. In the second Hg site, Hg(4) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), two equivalent K(5), and two equivalent Hg(2) atoms. In the third Hg site, Hg(1) is bonded in a 10-coordinate geometry to one K(2), two equivalent K(3), two equivalent K(4), two equivalent K(5), one Hg(1), one Hg(2), and one Hg(3) atom. In the fourth Hg site, Hg(2) is bonded in a 10-coordinate geometry to one K(1), one K(2), two equivalent K(4), two equivalent K(5), one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5Hg7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.244
_cell_length_b   10.139
_cell_length_c   19.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1625.967
_cell_formula_units_Z   4
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
  K  K0  1  0.250  0.103  0.588  1.0
  K  K1  1  0.750  0.897  0.412  1.0
  K  K2  1  0.750  0.103  0.912  1.0
  K  K3  1  0.250  0.897  0.088  1.0
  K  K4  1  0.250  0.991  0.890  1.0
  K  K5  1  0.750  0.009  0.110  1.0
  K  K6  1  0.750  0.991  0.610  1.0
  K  K7  1  0.250  0.009  0.390  1.0
  K  K8  1  0.250  0.815  0.710  1.0
  K  K9  1  0.750  0.185  0.290  1.0
  K  K10  1  0.750  0.815  0.790  1.0
  K  K11  1  0.250  0.185  0.210  1.0
  K  K12  1  0.250  0.477  0.518  1.0
  K  K13  1  0.750  0.523  0.482  1.0
  K  K14  1  0.750  0.477  0.982  1.0
  K  K15  1  0.250  0.523  0.018  1.0
  K  K16  1  0.250  0.429  0.727  1.0
  K  K17  1  0.750  0.571  0.273  1.0
  K  K18  1  0.750  0.429  0.773  1.0
  K  K19  1  0.250  0.571  0.227  1.0
  Hg  Hg20  1  0.568  0.372  0.142  1.0
  Hg  Hg21  1  0.068  0.628  0.858  1.0
  Hg  Hg22  1  0.432  0.372  0.358  1.0
  Hg  Hg23  1  0.932  0.628  0.642  1.0
  Hg  Hg24  1  0.432  0.628  0.858  1.0
  Hg  Hg25  1  0.932  0.372  0.142  1.0
  Hg  Hg26  1  0.568  0.628  0.642  1.0
  Hg  Hg27  1  0.068  0.372  0.358  1.0
  Hg  Hg28  1  0.068  0.681  0.381  1.0
  Hg  Hg29  1  0.568  0.319  0.619  1.0
  Hg  Hg30  1  0.932  0.681  0.119  1.0
  Hg  Hg31  1  0.432  0.319  0.881  1.0
  Hg  Hg32  1  0.932  0.319  0.619  1.0
  Hg  Hg33  1  0.432  0.681  0.381  1.0
  Hg  Hg34  1  0.068  0.319  0.881  1.0
  Hg  Hg35  1  0.568  0.681  0.119  1.0
  Hg  Hg36  1  0.566  0.199  0.472  1.0
  Hg  Hg37  1  0.066  0.801  0.528  1.0
  Hg  Hg38  1  0.434  0.199  0.028  1.0
  Hg  Hg39  1  0.934  0.801  0.972  1.0
  Hg  Hg40  1  0.434  0.801  0.528  1.0
  Hg  Hg41  1  0.934  0.199  0.472  1.0
  Hg  Hg42  1  0.566  0.801  0.972  1.0
  Hg  Hg43  1  0.066  0.199  0.028  1.0
  Hg  Hg44  1  0.500  0.872  0.250  1.0
  Hg  Hg45  1  0.000  0.128  0.750  1.0
  Hg  Hg46  1  0.500  0.128  0.750  1.0
  Hg  Hg47  1  0.000  0.872  0.250  1.0
[/CIF]
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The material described by K5Hg7 is Titanium Disilicide-like structured and crystallizes in the orthorhombic Pbcm space group. There are five inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent Hg(2), two equivalent Hg(4), and four equivalent Hg(3) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent Hg(1), two equivalent Hg(2), two equivalent Hg(4), and four equivalent Hg(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent Hg(3), two equivalent Hg(4), and four equivalent Hg(1) atoms. In the fourth K site, K(4) is bonded in a 12-coordinate geometry to four equivalent Hg(1), four equivalent Hg(2), and four equivalent Hg(3) atoms. In the fifth K site, K(5) is bonded in a 10-coordinate geometry to two equivalent Hg(4), four equivalent Hg(1), and four equivalent Hg(2) atoms. There are four inequivalent Hg sites. In the first Hg site, Hg(3) is bonded in a 10-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), two equivalent K(4), one Hg(1), one Hg(2), and one Hg(3) atom. In the second Hg site, Hg(4) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent K(3), two equivalent K(5), and two equivalent Hg(2) atoms. In the third Hg site, Hg(1) is bonded in a 10-coordinate geometry to one K(2), two equivalent K(3), two equivalent K(4), two equivalent K(5), one Hg(1), one Hg(2), and one Hg(3) atom. In the fourth Hg site, Hg(2) is bonded in a 10-coordinate geometry to one K(1), one K(2), two equivalent K(4), two equivalent K(5), one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5Hg7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.244
_cell_length_b   10.139
_cell_length_c   19.451
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1625.967
_cell_formula_units_Z   4
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
  K  K0  1  0.250  0.103  0.588  1.0
  K  K1  1  0.750  0.897  0.412  1.0
  K  K2  1  0.750  0.103  0.912  1.0
  K  K3  1  0.250  0.897  0.088  1.0
  K  K4  1  0.250  0.991  0.890  1.0
  K  K5  1  0.750  0.009  0.110  1.0
  K  K6  1  0.750  0.991  0.610  1.0
  K  K7  1  0.250  0.009  0.390  1.0
  K  K8  1  0.250  0.815  0.710  1.0
  K  K9  1  0.750  0.185  0.290  1.0
  K  K10  1  0.750  0.815  0.790  1.0
  K  K11  1  0.250  0.185  0.210  1.0
  K  K12  1  0.250  0.477  0.518  1.0
  K  K13  1  0.750  0.523  0.482  1.0
  K  K14  1  0.750  0.477  0.982  1.0
  K  K15  1  0.250  0.523  0.018  1.0
  K  K16  1  0.250  0.429  0.727  1.0
  K  K17  1  0.750  0.571  0.273  1.0
  K  K18  1  0.750  0.429  0.773  1.0
  K  K19  1  0.250  0.571  0.227  1.0
  Hg  Hg20  1  0.568  0.372  0.142  1.0
  Hg  Hg21  1  0.068  0.628  0.858  1.0
  Hg  Hg22  1  0.432  0.372  0.358  1.0
  Hg  Hg23  1  0.932  0.628  0.642  1.0
  Hg  Hg24  1  0.432  0.628  0.858  1.0
  Hg  Hg25  1  0.932  0.372  0.142  1.0
  Hg  Hg26  1  0.568  0.628  0.642  1.0
  Hg  Hg27  1  0.068  0.372  0.358  1.0
  Hg  Hg28  1  0.068  0.681  0.381  1.0
  Hg  Hg29  1  0.568  0.319  0.619  1.0
  Hg  Hg30  1  0.932  0.681  0.119  1.0
  Hg  Hg31  1  0.432  0.319  0.881  1.0
  Hg  Hg32  1  0.932  0.319  0.619  1.0
  Hg  Hg33  1  0.432  0.681  0.381  1.0
  Hg  Hg34  1  0.068  0.319  0.881  1.0
  Hg  Hg35  1  0.568  0.681  0.119  1.0
  Hg  Hg36  1  0.566  0.199  0.472  1.0
  Hg  Hg37  1  0.066  0.801  0.528  1.0
  Hg  Hg38  1  0.434  0.199  0.028  1.0
  Hg  Hg39  1  0.934  0.801  0.972  1.0
  Hg  Hg40  1  0.434  0.801  0.528  1.0
  Hg  Hg41  1  0.934  0.199  0.472  1.0
  Hg  Hg42  1  0.566  0.801  0.972  1.0
  Hg  Hg43  1  0.066  0.199  0.028  1.0
  Hg  Hg44  1  0.500  0.872  0.250  1.0
  Hg  Hg45  1  0.000  0.128  0.750  1.0
  Hg  Hg46  1  0.500  0.128  0.750  1.0
  Hg  Hg47  1  0.000  0.872  0.250  1.0
[/CIF]
.