#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004292.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_9004292
_chemical_name 'Wherryite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 32
_journal_year 1994
_journal_page_first 373
_journal_page_last 380
_publ_section_title
;
 The crystal structure of wherryite, Pb7Cu2(SO4)4(SiO4)2(OH)2, a mixed
 sulfate-silicate with [M(TO4)2] chains
;
_chemical_formula_sum 'Pb7 Cu2 S4 Si2 O26'
_cell_length_a 20.789
_cell_length_b 5.787
_cell_length_c 9.142
_cell_angle_alpha 90
_cell_angle_beta 91.24
_cell_angle_gamma 90
_cell_volume 1099.579
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb1   0.14340   0.00000   0.26320
Pb2   0.47390   0.00000   0.70610
Pb3   0.34190   0.00000   0.32120
Pb4   0.00000   0.00000   0.00000
Cu   0.25000   0.25000   0.00000
S1   0.26680   0.00000   0.65750
S2   0.43180   0.50000   0.34750
Si   0.39600   0.00000  -0.00890
O1   0.31920   0.00000   0.03000
O2   0.33560   0.00000   0.61500
O3   0.41730   0.21600  -0.11000
O4   0.22350   0.00000   0.53100
O5   0.38500   0.50000   0.22200
O6   0.43510   0.00000   0.14800
O7   0.25760   0.20600  -0.25100
O8   0.42360   0.29300   0.43800
O9   0.50360   0.50000  -0.28500
O10   0.30910   0.50000  -0.02900