#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000286.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_9000286
_chemical_name 'Yavapaiite'
loop_
_publ_author_name
'Anthony J W'
'McLean W J'
'Laughon R B'
_journal_name_full "American Mineralogist"
_journal_volume 57
_journal_year 1972
_journal_page_first 1546
_journal_page_last 1549
_publ_section_title
;
 The crystal structure of yavapaiite: A discussion
;
_chemical_formula_sum 'Fe K S2 O8'
_cell_length_a 8.150
_cell_length_b 5.162
_cell_length_c 7.855
_cell_angle_alpha 90
_cell_angle_beta 94.87
_cell_angle_gamma 90
_cell_volume 329.269
_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
_atom_site_Uiso_or_equiv
Fe   0.00000   0.00000   0.00000   0.00570
K   0.00000   0.00000   0.50000   0.01900
S   0.37000   0.00000   0.20200   0.00595
O1   0.23690   0.00000   0.06280   0.01127
O2   0.31240   0.00000   0.37000   0.01887
O3   0.47410   0.23300   0.18100   0.01368