#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000137.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_9000137
_chemical_name 'Krausite'
loop_
_publ_author_name
'Graeber E J'
'Morosin B'
'Rosenzweig A'
_journal_name_full "American Mineralogist"
_journal_volume 50
_journal_year 1965
_journal_page_first 1929
_journal_page_last 1936
_publ_section_title
;
 The crystal structure of krausite, KFe(SO4)2.H2O
;
_chemical_formula_sum 'Fe K S2 O9 H2'
_cell_length_a 7.908
_cell_length_b 5.152
_cell_length_c 8.988
_cell_angle_alpha 90
_cell_angle_beta 102.75
_cell_angle_gamma 90
_cell_volume 357.160
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.08920   0.25000   0.22770
K   0.57420   0.25000   0.21530
S1   0.66550   0.25000   0.65330
S2   0.15550   0.25000   0.88120
O1   0.74010   0.25000   0.51910
O2   0.47790   0.25000   0.62420
O3   0.72790   0.01710   0.74940
O4   0.06020   0.25000   0.00570
O5   0.34160   0.25000   0.93630
O6   0.10150   0.01540   0.78480
Wat7   0.10690   0.25000   0.45630