#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007489.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_9007489
_chemical_name 'Euchroite'
loop_
_publ_author_name
'Finney J J'
_journal_name_full "Acta Crystallographica"
_journal_volume 21
_journal_year 1966
_journal_page_first 437
_journal_page_last 440
_publ_section_title
;
 Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O
;
_chemical_formula_sum 'Cu2 As (O8 H7)'
_cell_length_a 10.063
_cell_length_b 10.522
_cell_length_c 6.107
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 646.627
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Cu1   0.24310   0.00820   0.96980   0.01051
Cu2   0.19930   0.24880   0.66600   0.01140
As   0.39100   0.23580   0.21720   0.00811
Wat1   0.78380   0.08620   0.37100   0.00811
Wat2   0.06600   0.31070   0.27900   0.02356
O3   0.04610   0.31830   0.82320   0.00279
O4   0.30580   0.18600   0.00000   0.02140
O5   0.32500   0.16650   0.45840   0.01368
O6   0.07130   0.05110   0.22340   0.00785
Wat7   0.14450   0.06760   0.71600   0.00735
O-H8   0.39270   0.38830   0.24850   0.00811