The material structure described by Hf3AgHg3F20 crystallizes in the hexagonal P6_3/m space group. Hf(1) is bonded to one F(2), one F(3), one F(6), two equivalent F(1), and two equivalent F(5) atoms to form HfF7 pentagonal bipyramids that share corners with two equivalent Hf(1)F7 pentagonal bipyramids, corners with four equivalent Hg(1)F7 pentagonal bipyramids,  a cornercorner with one Ag(1)F5 trigonal bipyramid, and  an edgeedge with one Hg(1)F7 pentagonal bipyramid. Ag(1) is bonded to two equivalent F(7) and three equivalent F(3) atoms to form AgF5 trigonal bipyramids that share corners with three equivalent Hf(1)F7 pentagonal bipyramids, corners with three equivalent Hg(1)F7 pentagonal bipyramids, and corners with two equivalent Ag(1)F5 trigonal bipyramids. Hg(1) is bonded to one F(2), one F(3), one F(4), two equivalent F(1), and two equivalent F(6) atoms to form distorted HgF7 pentagonal bipyramids that share corners with four equivalent Hf(1)F7 pentagonal bipyramids,  a cornercorner with one Ag(1)F5 trigonal bipyramid,  an edgeedge with one Hf(1)F7 pentagonal bipyramid, and edges with two equivalent Hg(1)F7 pentagonal bipyramids. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a trigonal planar geometry to one Hf(1), one Ag(1), and one Hg(1) atom. In the second F site, F(4) is bonded in a trigonal planar geometry to three equivalent Hg(1) atoms. In the third F site, F(5) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the fourth F site, F(1) is bonded in a linear geometry to one Hf(1) and one Hg(1) atom. In the fifth F site, F(6) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Hg(1) atoms. In the sixth F site, F(7) is bonded in a linear geometry to two equivalent Ag(1) atoms. In the seventh F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Hf(1) and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3AgHg3F20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.778
_cell_length_b   10.778
_cell_length_c   8.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   868.383
_cell_formula_units_Z   2
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
  Hf  Hf0  1  0.418  0.140  0.250  1.0
  Hf  Hf1  1  0.582  0.860  0.750  1.0
  Hf  Hf2  1  0.860  0.278  0.250  1.0
  Hf  Hf3  1  0.140  0.722  0.750  1.0
  Hf  Hf4  1  0.722  0.582  0.250  1.0
  Hf  Hf5  1  0.278  0.418  0.750  1.0
  Ag  Ag6  1  0.000  0.000  0.250  1.0
  Ag  Ag7  1  0.000  0.000  0.750  1.0
  Hg  Hg8  1  0.271  0.431  0.250  1.0
  Hg  Hg9  1  0.729  0.569  0.750  1.0
  Hg  Hg10  1  0.569  0.840  0.250  1.0
  Hg  Hg11  1  0.431  0.160  0.750  1.0
  Hg  Hg12  1  0.160  0.729  0.250  1.0
  Hg  Hg13  1  0.840  0.271  0.750  1.0
  F  F14  1  0.425  0.145  0.020  1.0
  F  F15  1  0.575  0.855  0.980  1.0
  F  F16  1  0.855  0.280  0.020  1.0
  F  F17  1  0.575  0.855  0.520  1.0
  F  F18  1  0.145  0.720  0.980  1.0
  F  F19  1  0.425  0.145  0.480  1.0
  F  F20  1  0.720  0.575  0.020  1.0
  F  F21  1  0.145  0.720  0.520  1.0
  F  F22  1  0.280  0.425  0.980  1.0
  F  F23  1  0.855  0.280  0.480  1.0
  F  F24  1  0.280  0.425  0.520  1.0
  F  F25  1  0.720  0.575  0.480  1.0
  F  F26  1  0.283  0.222  0.250  1.0
  F  F27  1  0.717  0.778  0.750  1.0
  F  F28  1  0.778  0.061  0.250  1.0
  F  F29  1  0.222  0.939  0.750  1.0
  F  F30  1  0.939  0.717  0.250  1.0
  F  F31  1  0.061  0.283  0.750  1.0
  F  F32  1  0.030  0.233  0.250  1.0
  F  F33  1  0.970  0.767  0.750  1.0
  F  F34  1  0.767  0.797  0.250  1.0
  F  F35  1  0.233  0.203  0.750  1.0
  F  F36  1  0.203  0.970  0.250  1.0
  F  F37  1  0.797  0.030  0.750  1.0
  F  F38  1  0.333  0.667  0.250  1.0
  F  F39  1  0.667  0.333  0.750  1.0
  F  F40  1  0.634  0.185  0.250  1.0
  F  F41  1  0.366  0.815  0.750  1.0
  F  F42  1  0.815  0.449  0.250  1.0
  F  F43  1  0.185  0.551  0.750  1.0
  F  F44  1  0.551  0.366  0.250  1.0
  F  F45  1  0.449  0.634  0.750  1.0
  F  F46  1  0.053  0.468  0.250  1.0
  F  F47  1  0.947  0.532  0.750  1.0
  F  F48  1  0.532  0.586  0.250  1.0
  F  F49  1  0.468  0.414  0.750  1.0
  F  F50  1  0.414  0.947  0.250  1.0
  F  F51  1  0.586  0.053  0.750  1.0
  F  F52  1  0.000  0.000  0.000  1.0
  F  F53  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material structure described by Hf3AgHg3F20 crystallizes in the hexagonal P6_3/m space group. Hf(1) is bonded to one F(2), one F(3), one F(6), two equivalent F(1), and two equivalent F(5) atoms to form HfF7 pentagonal bipyramids that share corners with two equivalent Hf(1)F7 pentagonal bipyramids, corners with four equivalent Hg(1)F7 pentagonal bipyramids,  a cornercorner with one Ag(1)F5 trigonal bipyramid, and  an edgeedge with one Hg(1)F7 pentagonal bipyramid. Ag(1) is bonded to two equivalent F(7) and three equivalent F(3) atoms to form AgF5 trigonal bipyramids that share corners with three equivalent Hf(1)F7 pentagonal bipyramids, corners with three equivalent Hg(1)F7 pentagonal bipyramids, and corners with two equivalent Ag(1)F5 trigonal bipyramids. Hg(1) is bonded to one F(2), one F(3), one F(4), two equivalent F(1), and two equivalent F(6) atoms to form distorted HgF7 pentagonal bipyramids that share corners with four equivalent Hf(1)F7 pentagonal bipyramids,  a cornercorner with one Ag(1)F5 trigonal bipyramid,  an edgeedge with one Hf(1)F7 pentagonal bipyramid, and edges with two equivalent Hg(1)F7 pentagonal bipyramids. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a trigonal planar geometry to one Hf(1), one Ag(1), and one Hg(1) atom. In the second F site, F(4) is bonded in a trigonal planar geometry to three equivalent Hg(1) atoms. In the third F site, F(5) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the fourth F site, F(1) is bonded in a linear geometry to one Hf(1) and one Hg(1) atom. In the fifth F site, F(6) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Hg(1) atoms. In the sixth F site, F(7) is bonded in a linear geometry to two equivalent Ag(1) atoms. In the seventh F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Hf(1) and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3AgHg3F20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.778
_cell_length_b   10.778
_cell_length_c   8.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   868.383
_cell_formula_units_Z   2
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
  Hf  Hf0  1  0.418  0.140  0.250  1.0
  Hf  Hf1  1  0.582  0.860  0.750  1.0
  Hf  Hf2  1  0.860  0.278  0.250  1.0
  Hf  Hf3  1  0.140  0.722  0.750  1.0
  Hf  Hf4  1  0.722  0.582  0.250  1.0
  Hf  Hf5  1  0.278  0.418  0.750  1.0
  Ag  Ag6  1  0.000  0.000  0.250  1.0
  Ag  Ag7  1  0.000  0.000  0.750  1.0
  Hg  Hg8  1  0.271  0.431  0.250  1.0
  Hg  Hg9  1  0.729  0.569  0.750  1.0
  Hg  Hg10  1  0.569  0.840  0.250  1.0
  Hg  Hg11  1  0.431  0.160  0.750  1.0
  Hg  Hg12  1  0.160  0.729  0.250  1.0
  Hg  Hg13  1  0.840  0.271  0.750  1.0
  F  F14  1  0.425  0.145  0.020  1.0
  F  F15  1  0.575  0.855  0.980  1.0
  F  F16  1  0.855  0.280  0.020  1.0
  F  F17  1  0.575  0.855  0.520  1.0
  F  F18  1  0.145  0.720  0.980  1.0
  F  F19  1  0.425  0.145  0.480  1.0
  F  F20  1  0.720  0.575  0.020  1.0
  F  F21  1  0.145  0.720  0.520  1.0
  F  F22  1  0.280  0.425  0.980  1.0
  F  F23  1  0.855  0.280  0.480  1.0
  F  F24  1  0.280  0.425  0.520  1.0
  F  F25  1  0.720  0.575  0.480  1.0
  F  F26  1  0.283  0.222  0.250  1.0
  F  F27  1  0.717  0.778  0.750  1.0
  F  F28  1  0.778  0.061  0.250  1.0
  F  F29  1  0.222  0.939  0.750  1.0
  F  F30  1  0.939  0.717  0.250  1.0
  F  F31  1  0.061  0.283  0.750  1.0
  F  F32  1  0.030  0.233  0.250  1.0
  F  F33  1  0.970  0.767  0.750  1.0
  F  F34  1  0.767  0.797  0.250  1.0
  F  F35  1  0.233  0.203  0.750  1.0
  F  F36  1  0.203  0.970  0.250  1.0
  F  F37  1  0.797  0.030  0.750  1.0
  F  F38  1  0.333  0.667  0.250  1.0
  F  F39  1  0.667  0.333  0.750  1.0
  F  F40  1  0.634  0.185  0.250  1.0
  F  F41  1  0.366  0.815  0.750  1.0
  F  F42  1  0.815  0.449  0.250  1.0
  F  F43  1  0.185  0.551  0.750  1.0
  F  F44  1  0.551  0.366  0.250  1.0
  F  F45  1  0.449  0.634  0.750  1.0
  F  F46  1  0.053  0.468  0.250  1.0
  F  F47  1  0.947  0.532  0.750  1.0
  F  F48  1  0.532  0.586  0.250  1.0
  F  F49  1  0.468  0.414  0.750  1.0
  F  F50  1  0.414  0.947  0.250  1.0
  F  F51  1  0.586  0.053  0.750  1.0
  F  F52  1  0.000  0.000  0.000  1.0
  F  F53  1  0.000  0.000  0.500  1.0
[/CIF]
.