#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009798.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_9009798
_chemical_name 'Hannebachite'
loop_
_publ_author_name
'Schropfer L'
_journal_name_full "Zeitschrift fur Anorganische und Allgemeine Chemie"
_journal_volume 401
_journal_year 1973
_journal_page_first 1
_journal_page_last 14
_publ_section_title
;
 Strukturelle untersuchungen an CaSO3*1/2H2O
 Locality: synthetic
;
_chemical_formula_sum 'Ca2 S2 O7 H2'
_cell_length_a 6.4844
_cell_length_b 9.8123
_cell_length_c 10.6629
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 678.447
_symmetry_space_group_name_H-M 'P b n a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.51340   0.13180   0.14590
S   0.16910   0.38470   0.12870
O1   0.36650   0.40080   0.05170
O2   0.21010   0.26070   0.20990
O3   0.18110   0.50670   0.21470
Ow   0.25620   0.25000   0.50000
H   0.34250   0.29340   0.56260