data_global
_chemical_name_mineral 'Fassinaite'
loop_
_publ_author_name
'Bindi L'
'Nestola F'
'Kolitsch U'
'Guastoni A'
'Zorzi F'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 75 
_journal_year 2011
_journal_page_first 2721
_journal_page_last 2732
_publ_section_title
;
 Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting
 thiosulphate and carbonate groups: description and crystal structure
 Note: Sample ID FAS-03
 Baden-Wurttemberg, Germany
;
_database_code_amcsd 0018573
_chemical_compound_source 'Friedrich-Christian mine, Schapbach, Black Forest,'
_chemical_formula_sum 'Pb2 S2 C O6'
_cell_length_a 16.326
_cell_length_b 8.773
_cell_length_c 4.583
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 656.414
_exptl_crystal_density_diffrn      5.935
_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   0.13597   0.48701   0.58424   0.02050
S1   0.00300   0.25000   0.07340   0.01550
C   0.71150   0.25000   0.37300   0.01700
O1   0.06040   0.25000   0.82700   0.02100
O2   0.27580   0.62030   0.50200   0.02700
O3   0.01380   0.11100   0.25200   0.01900
O4   0.18720   0.25000   0.39400   0.02800
S2   0.88530   0.25000   0.92760   0.01970
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 0.01860 0.01870 0.02420 -0.00110 -0.00110 -0.00070
S1 0.01300 0.01400 0.01900 0.00000 -0.00100 0.00000
C 0.01300 0.01800 0.02000 0.00000 0.00600 0.00000
O1 0.01600 0.02700 0.01900 0.00000 0.00700 0.00000
O2 0.02300 0.02700 0.03200 -0.00600 0.00900 -0.01200
O3 0.01900 0.01500 0.02200 -0.00500 -0.00400 0.00200
O4 0.03700 0.03000 0.01800 0.00000 0.01100 0.00000
S2 0.01700 0.02100 0.02100 0.00000 -0.00400 0.00000