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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/74/9007489.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007489
loop_
_publ_author_name
'Finney, J. J.'
_publ_section_title
;
 Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              437
_journal_page_last               440
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'As Cu2 H7 O8'
_chemical_name_mineral           Euchroite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.063
_cell_length_b                   10.522
_cell_length_c                   6.107
_cell_volume                     646.627
_exptl_crystal_density_diffrn    3.462
_[local]_cod_chemical_formula_sum_orig 'Cu2 As (O8 H7)'
_cod_database_code               9007489
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_U_iso_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
_journal_paper_doi 10.1107/S0365110X66003104