The material described by AgPbF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AgF6 octahedra that share corners with six equivalent Pb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. Pb(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form PbF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Ag(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ag(1) and one Pb(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Ag(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_AgPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.207
_cell_length_c   5.768
_cell_angle_alpha   89.123
_cell_angle_beta   65.984
_cell_angle_gamma   61.457
_symmetry_Int_Tables_number   1
_cell_volume   121.427
_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
  Ag  Ag0  1  0.000  0.000  0.000  1.0
  Pb  Pb1  1  0.000  0.500  0.500  1.0
  F  F2  1  0.857  0.897  0.739  1.0
  F  F3  1  0.143  0.103  0.261  1.0
  F  F4  1  0.828  0.755  0.249  1.0
  F  F5  1  0.172  0.245  0.751  1.0
  F  F6  1  0.543  0.567  0.729  1.0
  F  F7  1  0.457  0.433  0.271  1.0
[/CIF]
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The material described by AgPbF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AgF6 octahedra that share corners with six equivalent Pb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. Pb(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form PbF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 44-49°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Ag(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ag(1) and one Pb(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Ag(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_AgPbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.207
_cell_length_c   5.768
_cell_angle_alpha   89.123
_cell_angle_beta   65.984
_cell_angle_gamma   61.457
_symmetry_Int_Tables_number   1
_cell_volume   121.427
_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
  Ag  Ag0  1  0.000  0.000  0.000  1.0
  Pb  Pb1  1  0.000  0.500  0.500  1.0
  F  F2  1  0.857  0.897  0.739  1.0
  F  F3  1  0.143  0.103  0.261  1.0
  F  F4  1  0.828  0.755  0.249  1.0
  F  F5  1  0.172  0.245  0.751  1.0
  F  F6  1  0.543  0.567  0.729  1.0
  F  F7  1  0.457  0.433  0.271  1.0
[/CIF]
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