The material structure described by CaPbF6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to six equivalent F(1) atoms to form CaF6 octahedra that share corners with six equivalent Pb(1)F6 octahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded to six equivalent F(1) atoms to form PbF6 octahedra that share corners with six equivalent Ca(1)F6 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Ca(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   6.105
_cell_length_c   6.105
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   160.906
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Pb  Pb1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.240  0.760  0.760  1.0
  F  F3  1  0.240  0.760  0.240  1.0
  F  F4  1  0.760  0.240  0.240  1.0
  F  F5  1  0.760  0.760  0.240  1.0
  F  F6  1  0.240  0.240  0.760  1.0
  F  F7  1  0.760  0.240  0.760  1.0
[/CIF]
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The material structure described by CaPbF6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to six equivalent F(1) atoms to form CaF6 octahedra that share corners with six equivalent Pb(1)F6 octahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded to six equivalent F(1) atoms to form PbF6 octahedra that share corners with six equivalent Ca(1)F6 octahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a linear geometry to one Ca(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.105
_cell_length_b   6.105
_cell_length_c   6.105
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   160.906
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Pb  Pb1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.240  0.760  0.760  1.0
  F  F3  1  0.240  0.760  0.240  1.0
  F  F4  1  0.760  0.240  0.240  1.0
  F  F5  1  0.760  0.760  0.240  1.0
  F  F6  1  0.240  0.240  0.760  1.0
  F  F7  1  0.760  0.240  0.760  1.0
[/CIF]
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