#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009977.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_9009977
_chemical_name 'Schultenite'
loop_
_publ_author_name
'Wilson C C'
'Cox P J'
'Stewart N S'
_journal_name_full "Journal of Crystallographic and Spectroscopic Research"
_journal_volume 21
_journal_year 1991
_journal_page_first 589
_journal_page_last 593
_publ_section_title
;
 Structure and disorder in schultenite, lead hydrogen arsenate
;
_chemical_formula_sum 'Pb H As O4'
_cell_length_a 4.930
_cell_length_b 6.772
_cell_length_c 5.859
_cell_angle_alpha 90
_cell_angle_beta 96.07
_cell_angle_gamma 90
_cell_volume 194.512
_symmetry_space_group_name_H-M 'P 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Pb   0.00000   0.20270   0.25000   1.00000 ?
H   0.48400   0.52450   0.48800   0.50000   0.03040
As   0.50000   0.79660   0.25000   1.00000 ?
O1   0.35910   0.64940   0.44330   1.00000 ?
O2   0.24920   0.93180   0.10890   1.00000 ?