The compound described by BaPbF6 crystallizes in the trigonal R-3m space group. Ba(1) is bonded to twelve equivalent F(1) atoms to form BaF12 cuboctahedra that share corners with six equivalent Pb(1)F6 octahedra, edges with six equivalent Ba(1)F12 cuboctahedra, and faces with two equivalent Pb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 41°. Pb(1) is bonded to six equivalent F(1) atoms to form PbF6 octahedra that share corners with six equivalent Ba(1)F12 cuboctahedra and faces with two equivalent Ba(1)F12 cuboctahedra. F(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_BaPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   5.073
_cell_length_c   5.073
_cell_angle_alpha   97.249
_cell_angle_beta   97.249
_cell_angle_gamma   97.249
_symmetry_Int_Tables_number   1
_cell_volume   127.132
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Pb  Pb1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.704  0.704  0.068  1.0
  F  F3  1  0.704  0.068  0.704  1.0
  F  F4  1  0.296  0.932  0.296  1.0
  F  F5  1  0.296  0.296  0.932  1.0
  F  F6  1  0.932  0.296  0.296  1.0
  F  F7  1  0.068  0.704  0.704  1.0
[/CIF]
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The compound described by BaPbF6 crystallizes in the trigonal R-3m space group. Ba(1) is bonded to twelve equivalent F(1) atoms to form BaF12 cuboctahedra that share corners with six equivalent Pb(1)F6 octahedra, edges with six equivalent Ba(1)F12 cuboctahedra, and faces with two equivalent Pb(1)F6 octahedra. The corner-sharing octahedral tilt angles are 41°. Pb(1) is bonded to six equivalent F(1) atoms to form PbF6 octahedra that share corners with six equivalent Ba(1)F12 cuboctahedra and faces with two equivalent Ba(1)F12 cuboctahedra. F(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_BaPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.073
_cell_length_b   5.073
_cell_length_c   5.073
_cell_angle_alpha   97.249
_cell_angle_beta   97.249
_cell_angle_gamma   97.249
_symmetry_Int_Tables_number   1
_cell_volume   127.132
_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
  Ba  Ba0  1  0.500  0.500  0.500  1.0
  Pb  Pb1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.704  0.704  0.068  1.0
  F  F3  1  0.704  0.068  0.704  1.0
  F  F4  1  0.296  0.932  0.296  1.0
  F  F5  1  0.296  0.296  0.932  1.0
  F  F6  1  0.932  0.296  0.296  1.0
  F  F7  1  0.068  0.704  0.704  1.0
[/CIF]
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