The material described by (Cs2PbF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure consists of four hydrochloric acid atoms inside a Cs2PbF6 framework. In the Cs2PbF6 framework, 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, and faces with four equivalent Pb(1)F6 octahedra. Pb(1) is bonded to six equivalent F(1) atoms to form PbF6 octahedra that share faces with eight equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2PbClF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.035
_cell_length_b   7.035
_cell_length_c   7.035
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   246.223
_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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Pb  Pb2  1  0.500  0.500  0.500  1.0
  Cl  Cl3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.287  0.713  0.713  1.0
  F  F5  1  0.287  0.713  0.287  1.0
  F  F6  1  0.713  0.287  0.713  1.0
  F  F7  1  0.713  0.713  0.287  1.0
  F  F8  1  0.287  0.287  0.713  1.0
  F  F9  1  0.713  0.287  0.287  1.0
[/CIF]
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The material described by (Cs2PbF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure consists of four hydrochloric acid atoms inside a Cs2PbF6 framework. In the Cs2PbF6 framework, 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, and faces with four equivalent Pb(1)F6 octahedra. Pb(1) is bonded to six equivalent F(1) atoms to form PbF6 octahedra that share faces with eight equivalent Cs(1)F12 cuboctahedra. F(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2PbClF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.035
_cell_length_b   7.035
_cell_length_c   7.035
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   246.223
_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  0.250  0.250  0.250  1.0
  Cs  Cs1  1  0.750  0.750  0.750  1.0
  Pb  Pb2  1  0.500  0.500  0.500  1.0
  Cl  Cl3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.287  0.713  0.713  1.0
  F  F5  1  0.287  0.713  0.287  1.0
  F  F6  1  0.713  0.287  0.713  1.0
  F  F7  1  0.713  0.713  0.287  1.0
  F  F8  1  0.287  0.287  0.713  1.0
  F  F9  1  0.713  0.287  0.287  1.0
[/CIF]
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