data_9007903
_publ_section_title
;
 Matlockite-type PbFI
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i80
_journal_page_last               i81
_journal_paper_doi               10.1107/S1600536801013678
_journal_volume                  57
_journal_year                    2001
_chemical_formula_structural     PbFI
_chemical_formula_sum            'F I Pb'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.2374
_cell_length_b                   4.2374
_cell_length_c                   8.800
_cell_volume                     158.009
_exptl_crystal_density_diffrn    7.422
_[local]_cod_cif_authors_sg_H-M  'P 4/n m m'
_[local]_cod_chemical_formula_sum_orig 'Pb I F'
_cod_database_code               9007903
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-y,1/2-x,z
1/2+y,1/2+x,-z
1/2+y,-x,-z
1/2-y,x,z
x,1/2-y,z
-x,1/2+y,-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
y,x,z
-y,-x,-z
-y,1/2+x,-z
y,1/2-x,z
1/2-x,y,z
1/2+x,-y,-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.01780 0.01780 0.03180 0.00000 0.00000 0.00000
I 0.01470 0.01470 0.02370 0.00000 0.00000 0.00000
F 0.01700 0.01700 0.03200 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.25000 0.25000 0.16392 0.02250
I 0.25000 0.25000 0.66297 0.01770
F 0.75000 0.25000 0.00000 0.02200
