The material described by Cs2YHgF6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Y(1)F6 octahedra, and faces with four equivalent Hg(1)F6 octahedra. Y(1) is bonded to six equivalent F(1) atoms to form YF6 octahedra that share corners with six equivalent Hg(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 octahedra that share corners with six equivalent Y(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a single-bond geometry to four equivalent Cs(1), one Y(1), and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2YHgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.828
_cell_length_b   6.828
_cell_length_c   6.828
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   225.094
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.500  0.500  0.500  1.0
  F  F4  1  0.773  0.227  0.227  1.0
  F  F5  1  0.227  0.227  0.773  1.0
  F  F6  1  0.227  0.773  0.773  1.0
  F  F7  1  0.227  0.773  0.227  1.0
  F  F8  1  0.773  0.227  0.773  1.0
  F  F9  1  0.773  0.773  0.227  1.0
[/CIF]
.
The material described by Cs2YHgF6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Y(1)F6 octahedra, and faces with four equivalent Hg(1)F6 octahedra. Y(1) is bonded to six equivalent F(1) atoms to form YF6 octahedra that share corners with six equivalent Hg(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 octahedra that share corners with six equivalent Y(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a single-bond geometry to four equivalent Cs(1), one Y(1), and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2YHgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.828
_cell_length_b   6.828
_cell_length_c   6.828
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   225.094
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.500  0.500  0.500  1.0
  F  F4  1  0.773  0.227  0.227  1.0
  F  F5  1  0.227  0.227  0.773  1.0
  F  F6  1  0.227  0.773  0.773  1.0
  F  F7  1  0.227  0.773  0.227  1.0
  F  F8  1  0.773  0.227  0.773  1.0
  F  F9  1  0.773  0.773  0.227  1.0
[/CIF]
.