data_global
_chemical_name_mineral 'Symesite'
loop_
_publ_author_name
'Welch M D'
'Cooper M A'
'Hawthorne F C'
'Criddle A J'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 1526
_journal_page_last 1533
_publ_section_title
;
 Symesite, Pb10(SO4)O7Cl4(H2O), a new PbO-related sheet mineral: Description and
 crystal structure
;
_database_code_amcsd 0002592
_chemical_formula_sum 'S Pb10 Cl4 O12'
_cell_length_a 19.727
_cell_length_b 8.796
_cell_length_c 13.631
_cell_angle_alpha 82.21
_cell_angle_beta 78.08
_cell_angle_gamma 100.04
_cell_volume 2242.377
_exptl_crystal_density_diffrn      7.221
_symmetry_space_group_name_H-M 'B -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S   0.00780   0.25440   0.18660 ?
Pb1   0.82782   0.01000   0.15160 ?
Pb2   0.20839   0.54890   0.14680 ?
Pb3   0.91743   0.65920   0.15890 ?
Pb4   0.74960   0.36100   0.15820 ?
Pb5   0.28295   0.18860   0.15910 ?
Pb6   0.66701   0.72220   0.12850 ?
Pb7   0.37766   0.84280   0.14430 ?
Pb8   0.11177   0.88640   0.15230 ?
Pb9   0.46460   0.44030   0.14490 ?
Pb10   0.56724   0.11620   0.14390 ?
Cl1   0.44860   0.19970   0.02520 ?
Cl2   0.81240   0.72750   0.02600 ?
Cl3   0.63220   0.42490   0.01210 ?
Cl4   0.27390   0.90800   0.01950 ?
O1   0.03210   0.10600   0.20460   0.10360
O2   0.01470   0.28920   0.07560   0.10360
O3   0.05980   0.37210   0.21500   0.10360
O4  -0.06910   0.23000   0.22960   0.10360
O5   0.68210   0.52290   0.23330   0.01640
O6   0.14130   0.68650   0.24500   0.01960
O7   0.50360   0.26100   0.23510   0.01730
O8   0.21570   0.34680   0.26400   0.01580
O9   0.77930   0.14820   0.27250   0.01490
O10   0.63740   0.17670   0.24980   0.01500
O11   0.32560   0.99300   0.24550   0.01450
O12   0.09470   0.63200   0.00980   0.06430
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
S 0.02070 0.04520 0.02150 0.00770 -0.00180 -0.00740
Pb1 0.01480 0.01320 0.01930 0.00210 -0.00280 -0.00470
Pb2 0.01650 0.01360 0.01780 0.00370 -0.00570 -0.00780
Pb3 0.01460 0.01940 0.01960 0.00320 -0.00370 -0.00880
Pb4 0.01550 0.01430 0.01770 0.00270 -0.00410 -0.00780
Pb5 0.01460 0.01310 0.01590 0.00170 -0.00430 -0.00530
Pb6 0.01690 0.01510 0.02050 0.00350 -0.00830 -0.00750
Pb7 0.01310 0.01490 0.02110 0.00090 -0.00140 -0.00740
Pb8 0.01500 0.01610 0.01790 0.00210 -0.00580 -0.00600
Pb9 0.01450 0.01490 0.02290 0.00020 -0.00490 -0.00260
Pb10 0.01580 0.01780 0.02210 0.00330 -0.00630 -0.01030
Cl1 0.02040 0.02450 0.02840 0.00200 -0.00870 -0.00680
Cl2 0.02360 0.02740 0.02630 0.00870 -0.00790 -0.01130
Cl3 0.02610 0.02330 0.03100 0.00540 -0.00840 -0.01180
Cl4 0.02570 0.02010 0.02960 0.00350 -0.00820 -0.00890