#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007546.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_9007546
_chemical_name 'Haidingerite'
loop_
_publ_author_name
'Ferraris G'
'Jones D W'
'Yerkess J'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 28
_journal_year 1972
_journal_page_first 209
_journal_page_last 214
_publ_section_title
;
 A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haiding
 Sample: X-ray refinement
 Locality: synthetic
;
_chemical_formula_sum 'Ca As O5 H2'
_cell_length_a 6.904
_cell_length_b 16.161
_cell_length_c 7.935
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 885.352
_symmetry_space_group_name_H-M 'P c n b'
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   0.62630   0.04760   0.18410
As   0.12830   0.10900   0.05890
O1   0.22490   0.20070   0.14280
O2  -0.04130   0.07440   0.19090
O3   0.05470   0.13240  -0.13360
O4   0.30050   0.03650   0.05490
Wat   0.62390   0.16030  -0.00640