data_global
_chemical_name_mineral 'Susannite'
loop_
_publ_author_name
'Steele I M'
'Pluth J J'
'Livingstone A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 11 
_journal_year 1999
_journal_page_first 493
_journal_page_last 499
_publ_section_title
;
 Crystal structure of susannite, Pb4SO4(CO3)2(OH)2:
 a trimorph with macphersonite and leadhillite
;
_database_code_amcsd 0006779
_chemical_compound_source 'Leadhills, Scotland'
_chemical_formula_sum 'Pb4 S (O12 C2) H2'
_cell_length_a 9.0718
_cell_length_b 9.0718
_cell_length_c 11.570
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 824.614
_exptl_crystal_density_diffrn      6.518
_symmetry_space_group_name_H-M 'P 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x-y,z'
  '-x+y,-x,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1   0.66770  -0.01130   0.01780   0.01640
Pb2   0.34650   0.01230   0.81360   0.01630
Pb3   0.67130   0.94540   0.58920   0.04990
Pb4   0.66120   0.61170   0.23820   0.05830
S1   0.66667   0.33333   0.43000   0.03400
S2   0.33333   0.66667   0.41200   0.03000
S3   0.00000   0.00000   0.41100   0.03200
O-H1   0.66500   0.05200   0.20500   0.02400
O-H2   0.30900  -0.01800   0.61900   0.04700
O3   0.85700  -0.14200   0.06000   0.01300
O4   0.47800  -0.32800   0.06000   0.01700
O5   0.66400   0.47400   0.04300   0.01100
O6   0.47700  -0.19200   0.77300   0.02300
O7  -0.00200  -0.14400   0.77500   0.02400
O8   0.52500   0.33600   0.75600   0.03100
O9   0.66667   0.33333   0.30400   0.04000
O10   0.83500   0.38200   0.46700   0.13000
O11   0.33333   0.66667   0.53500   0.09000
O12   0.50500   0.76700   0.37100   0.14000
O13   0.00000   0.00000   0.53300   0.06000
O14   0.16900   0.11000   0.36900   0.21000
C1   0.00000   0.00000   0.07300   0.01300
C2   0.33333  -0.33333   0.07000   0.01700
C3   0.66667   0.33333   0.04700   0.01100
C4   0.33333  -0.33333   0.77700   0.02300
C5   0.00000   0.00000   0.78100   0.02400
C6   0.66667   0.33333   0.76000   0.03100
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 0.01780 0.01560 0.01640 0.00880 -0.00020 -0.00120
Pb2 0.01640 0.01640 0.01410 0.00670 0.00020 0.00000
Pb3 0.09300 0.04960 0.02740 0.05070 0.00200 0.01350
Pb4 0.13700 0.04330 0.02050 0.06400 -0.00130 0.00000
S1 0.04700 0.04700 0.00700 0.02400 0.00000 0.00000
S2 0.03600 0.03600 0.01900 0.01800 0.00000 0.00000
S3 0.03700 0.03700 0.02100 0.01800 0.00000 0.00000