data_global
_chemical_name_mineral 'Sidpietersite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 37 
_journal_year 1999
_journal_page_first 1275
_journal_page_last 1282
_publ_section_title
;
 The structure topology of sidpietersite, Pb4(SO3S)O2(OH)2,
 a novel thiosulfate structure
;
_database_code_amcsd 0005630
_chemical_formula_sum 'Pb4 S2 O7 H2'
_cell_length_a 7.455
_cell_length_b 6.496
_cell_length_c 11.207
_cell_angle_alpha 114.33
_cell_angle_beta 89.65
_cell_angle_gamma 88.69
_cell_volume 494.327
_exptl_crystal_density_diffrn      6.765
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Pb1   0.12210   0.74830   0.00630   0.01910
Pb2   0.61980   0.59320   0.31160   0.02350
Pb3   0.10300   0.62620   0.30480   0.02330
Pb4   0.62750   0.74870   0.02750   0.01820
S1   0.37040   0.12530   0.31600   0.01930
S2   0.15090   0.20400   0.42750   0.03500
O1   0.53000   0.18500   0.39000   0.04690
O2   0.35200   0.24600   0.22900   0.04000
O3   0.37200  -0.12700   0.23100   0.02850
O4   0.12800   0.47500   0.08500   0.01910
O5   0.61500   0.45000   0.08400   0.02380
O-H1   0.87400   0.35700   0.24500   0.02280
O-H2   0.84100   0.79600   0.25600   0.02510
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
Pb1 0.01590 0.01520 0.02550 0.00070 -0.00020 0.00790
Pb2 0.01680 0.03110 0.02190 0.00030 0.00220 0.01040
Pb3 0.01800 0.03090 0.02000 -0.00300 -0.00110 0.00940
Pb4 0.01460 0.01550 0.02390 -0.00030 0.00160 0.00770
S1 0.02360 0.01350 0.01810 -0.00190 -0.00260 0.00380
S2 0.02890 0.04220 0.03140 0.00330 0.00560 0.01300
O1 0.02620 0.05800 0.06070 0.00130 0.01420 0.02920
O2 0.05420 0.02590 0.04380 -0.00790 0.00550 0.01800
O3 0.03760 0.01030 0.02270 -0.00690 -0.00790 -0.00850
O4 0.02450 0.02230 0.00570 0.00860 0.00520 0.00150
O5 0.02500 0.01300 0.03260 0.00740 0.00310 0.00880
O-H1 0.01980 0.03970 0.01320 0.00210 0.00410 0.01540
O-H2 0.03400 0.03390 0.01080 -0.00950 -0.01040 0.01220