The material structure described by La2PbF8 crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one F(2), one F(3), one F(4), two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one F(3), one F(4), one F(5), one F(6), one F(8), two equivalent F(2), and two equivalent F(7) atoms. Pb(1) is bonded in a 6-coordinate geometry to one F(1), one F(4), one F(6), one F(7), and two equivalent F(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to two equivalent La(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one La(1) and two equivalent La(2) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one La(1) and one La(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Pb(1) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one La(2) and two equivalent La(1) atoms. In the sixth F site, F(6) is bonded to one La(2), two equivalent La(1), and one Pb(1) atom to form corner-sharing FLa3Pb tetrahedra. In the seventh F site, F(7) is bonded in a trigonal planar geometry to two equivalent La(2) and one Pb(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one La(2) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_La2PbF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.122
_cell_length_b   5.981
_cell_length_c   7.559
_cell_angle_alpha   112.944
_cell_angle_beta   105.818
_cell_angle_gamma   89.599
_symmetry_Int_Tables_number   1
_cell_volume   164.054
_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
  La  La0  1  0.644  0.651  0.326  1.0
  La  La1  1  0.332  0.316  0.657  1.0
  Pb  Pb2  1  0.025  0.990  0.011  1.0
  F  F3  1  0.052  0.666  0.146  1.0
  F  F4  1  0.802  0.564  0.630  1.0
  F  F5  1  0.597  0.051  0.336  1.0
  F  F6  1  0.496  0.284  0.018  1.0
  F  F7  1  0.251  0.875  0.537  1.0
  F  F8  1  0.142  0.380  0.348  1.0
  F  F9  1  0.870  0.173  0.740  1.0
  F  F10  1  0.450  0.718  0.918  1.0
[/CIF]
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The material structure described by La2PbF8 crystallizes in the triclinic P1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one F(2), one F(3), one F(4), two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one F(3), one F(4), one F(5), one F(6), one F(8), two equivalent F(2), and two equivalent F(7) atoms. Pb(1) is bonded in a 6-coordinate geometry to one F(1), one F(4), one F(6), one F(7), and two equivalent F(8) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to two equivalent La(1) and one Pb(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one La(1) and two equivalent La(2) atoms. In the third F site, F(3) is bonded in a distorted single-bond geometry to one La(1) and one La(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Pb(1) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one La(2) and two equivalent La(1) atoms. In the sixth F site, F(6) is bonded to one La(2), two equivalent La(1), and one Pb(1) atom to form corner-sharing FLa3Pb tetrahedra. In the seventh F site, F(7) is bonded in a trigonal planar geometry to two equivalent La(2) and one Pb(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one La(2) and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_La2PbF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.122
_cell_length_b   5.981
_cell_length_c   7.559
_cell_angle_alpha   112.944
_cell_angle_beta   105.818
_cell_angle_gamma   89.599
_symmetry_Int_Tables_number   1
_cell_volume   164.054
_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
  La  La0  1  0.644  0.651  0.326  1.0
  La  La1  1  0.332  0.316  0.657  1.0
  Pb  Pb2  1  0.025  0.990  0.011  1.0
  F  F3  1  0.052  0.666  0.146  1.0
  F  F4  1  0.802  0.564  0.630  1.0
  F  F5  1  0.597  0.051  0.336  1.0
  F  F6  1  0.496  0.284  0.018  1.0
  F  F7  1  0.251  0.875  0.537  1.0
  F  F8  1  0.142  0.380  0.348  1.0
  F  F9  1  0.870  0.173  0.740  1.0
  F  F10  1  0.450  0.718  0.918  1.0
[/CIF]
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