data_global
_amcsd_formula_title 'Pb(OH)I'
loop_
_publ_author_name
'Siidra O I'
'Zenko D Y'
'Suknotova A N'
'Krivovichev S V'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 77 
_journal_year 2013
_journal_page_first 3239
_journal_page_last 3248
_publ_section_title
;
 Crystal structure of a novel synthetic compound, Pb2O(OH)I, and structure
 refinement of iodolaurionite, Pb(OH)I: hydroxo- and oxocentred units in Pb
 minerals and synthetic compounds
;
_database_code_amcsd 0020441
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pb O H I'
_cell_length_a 7.8244
_cell_length_b 4.2107
_cell_length_c 10.4724
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 345.026
_exptl_crystal_density_diffrn      6.759
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb   0.81940   0.25000   0.58142   0.01700
O   0.88100  -0.25000   0.47300   0.02000
H   0.76000  -0.25000   0.41000   0.05000
I   0.54710   0.25000   0.32060   0.01700
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 0.01100 0.01590 0.02390 0.00000 0.00650 0.00000
O 0.03000 0.00600 0.02000 0.00000 -0.01000 0.00000
I 0.02100 0.01460 0.01480 0.00000 0.00200 0.00000