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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004538.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9004538
_chemical_name '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
;
_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
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_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_Uiso_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