The structure described by (Hg)2TaF6 is Cubic Laves structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 7439-97-6 atoms and four TaF6 clusters. In each TaF6 cluster, Ta(1) is bonded in an octahedral geometry to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaHg2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.646
_cell_length_b   7.646
_cell_length_c   7.991
_cell_angle_alpha   62.653
_cell_angle_beta   62.653
_cell_angle_gamma   90.029
_symmetry_Int_Tables_number   1
_cell_volume   355.039
_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
  Ta  Ta0  1  0.376  0.624  0.750  1.0
  Ta  Ta1  1  0.624  0.376  0.250  1.0
  Hg  Hg2  1  0.000  0.000  0.500  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  Hg  Hg4  1  0.500  0.000  0.000  1.0
  Hg  Hg5  1  0.000  0.500  0.500  1.0
  F  F6  1  0.551  0.801  0.755  1.0
  F  F7  1  0.197  0.803  0.750  1.0
  F  F8  1  0.531  0.782  0.432  1.0
  F  F9  1  0.782  0.531  0.932  1.0
  F  F10  1  0.199  0.449  0.745  1.0
  F  F11  1  0.553  0.447  0.750  1.0
  F  F12  1  0.447  0.553  0.250  1.0
  F  F13  1  0.801  0.551  0.255  1.0
  F  F14  1  0.218  0.469  0.068  1.0
  F  F15  1  0.469  0.218  0.568  1.0
  F  F16  1  0.803  0.197  0.250  1.0
  F  F17  1  0.449  0.199  0.245  1.0
[/CIF]
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The structure described by (Hg)2TaF6 is Cubic Laves structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 7439-97-6 atoms and four TaF6 clusters. In each TaF6 cluster, Ta(1) is bonded in an octahedral geometry to one F(2), one F(4), two equivalent F(1), and two equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaHg2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.646
_cell_length_b   7.646
_cell_length_c   7.991
_cell_angle_alpha   62.653
_cell_angle_beta   62.653
_cell_angle_gamma   90.029
_symmetry_Int_Tables_number   1
_cell_volume   355.039
_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
  Ta  Ta0  1  0.376  0.624  0.750  1.0
  Ta  Ta1  1  0.624  0.376  0.250  1.0
  Hg  Hg2  1  0.000  0.000  0.500  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  Hg  Hg4  1  0.500  0.000  0.000  1.0
  Hg  Hg5  1  0.000  0.500  0.500  1.0
  F  F6  1  0.551  0.801  0.755  1.0
  F  F7  1  0.197  0.803  0.750  1.0
  F  F8  1  0.531  0.782  0.432  1.0
  F  F9  1  0.782  0.531  0.932  1.0
  F  F10  1  0.199  0.449  0.745  1.0
  F  F11  1  0.553  0.447  0.750  1.0
  F  F12  1  0.447  0.553  0.250  1.0
  F  F13  1  0.801  0.551  0.255  1.0
  F  F14  1  0.218  0.469  0.068  1.0
  F  F15  1  0.469  0.218  0.568  1.0
  F  F16  1  0.803  0.197  0.250  1.0
  F  F17  1  0.449  0.199  0.245  1.0
[/CIF]
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