data_global
_chemical_name_mineral 'Penfieldite'
loop_
_publ_author_name
'Merlino S'
'Pasero M'
'Perchiazzi N'
'Gianfagna A'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 59 
_journal_year 1995
_journal_page_first 341
_journal_page_last 347
_publ_section_title
;
 X-ray and electron diffraction study of penfieldite:
 average structure and multiple cells
;
_database_code_amcsd 0014517
_chemical_compound_source 'Etruscan iron slag, Baratti beach, Piombiono, Tuscany, Italy'
_chemical_formula_sum 'Pb2 Cl3 (O H)'
_cell_length_a 11.393
_cell_length_b 11.393
_cell_length_c 4.024
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 452.340
_exptl_crystal_density_diffrn      5.922
_symmetry_space_group_name_H-M 'P -6'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,-z'
  '-y,x-y,z'
  'x,y,-z'
  '-x+y,-x,z'
  '-y,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
Pb1   0.62210   0.53860   0.50000   0.01532
Pb2   0.17430   0.27390   0.00000   0.01456
Cl1   0.85640   0.80590   0.50000   0.01140
Cl2   0.82720   0.53240   0.00000   0.01773
Cl3   0.32120   0.46830   0.50000   0.01646
O-H   0.59000   0.65200   0.00000   0.01267