The material described by (Hg)2NbF6 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 NbF6 clusters. In each NbF6 cluster, Nb(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 Nb(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbHg2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.541
_cell_length_b   7.541
_cell_length_c   7.995
_cell_angle_alpha   63.128
_cell_angle_beta   63.128
_cell_angle_gamma   90.141
_symmetry_Int_Tables_number   1
_cell_volume   349.310
_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
  Nb  Nb0  1  0.375  0.625  0.250  1.0
  Nb  Nb1  1  0.625  0.375  0.750  1.0
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.500  1.0
  Hg  Hg4  1  0.000  0.500  0.000  1.0
  Hg  Hg5  1  0.500  0.000  0.500  1.0
  F  F6  1  0.555  0.805  0.254  1.0
  F  F7  1  0.193  0.807  0.250  1.0
  F  F8  1  0.529  0.781  0.936  1.0
  F  F9  1  0.781  0.529  0.436  1.0
  F  F10  1  0.557  0.443  0.250  1.0
  F  F11  1  0.195  0.445  0.246  1.0
  F  F12  1  0.805  0.555  0.754  1.0
  F  F13  1  0.443  0.557  0.750  1.0
  F  F14  1  0.219  0.471  0.564  1.0
  F  F15  1  0.471  0.219  0.064  1.0
  F  F16  1  0.807  0.193  0.750  1.0
  F  F17  1  0.445  0.195  0.746  1.0
[/CIF]
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The material described by (Hg)2NbF6 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 NbF6 clusters. In each NbF6 cluster, Nb(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 Nb(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbHg2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.541
_cell_length_b   7.541
_cell_length_c   7.995
_cell_angle_alpha   63.128
_cell_angle_beta   63.128
_cell_angle_gamma   90.141
_symmetry_Int_Tables_number   1
_cell_volume   349.310
_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
  Nb  Nb0  1  0.375  0.625  0.250  1.0
  Nb  Nb1  1  0.625  0.375  0.750  1.0
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.500  1.0
  Hg  Hg4  1  0.000  0.500  0.000  1.0
  Hg  Hg5  1  0.500  0.000  0.500  1.0
  F  F6  1  0.555  0.805  0.254  1.0
  F  F7  1  0.193  0.807  0.250  1.0
  F  F8  1  0.529  0.781  0.936  1.0
  F  F9  1  0.781  0.529  0.436  1.0
  F  F10  1  0.557  0.443  0.250  1.0
  F  F11  1  0.195  0.445  0.246  1.0
  F  F12  1  0.805  0.555  0.754  1.0
  F  F13  1  0.443  0.557  0.750  1.0
  F  F14  1  0.219  0.471  0.564  1.0
  F  F15  1  0.471  0.219  0.064  1.0
  F  F16  1  0.807  0.193  0.750  1.0
  F  F17  1  0.445  0.195  0.746  1.0
[/CIF]
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