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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013462.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_9013462
loop_
_publ_author_name
'Poulsen, S. J.'
'Calvo, C.'
_publ_section_title
;
 Crystal structure of Cu3(AsO4)2
 Locality: synthetic
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              917
_journal_page_last               927
_journal_volume                  46
_journal_year                    1968
_chemical_formula_sum            'As2 Cu3 O8'
_chemical_name_mineral           Lammerite-beta
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.04
_cell_angle_gamma                90
_cell_length_a                   6.327
_cell_length_b                   8.642
_cell_length_c                   11.313
_cell_volume                     618.179
_exptl_crystal_density_diffrn    5.034
_[local]_cod_chemical_formula_sum_orig 'Cu3 As2 O8'
_cod_database_code               9013462
_amcsd_database_code             AMCSD#0013125
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-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
_atom_site_U_iso_or_equiv
Cu1 0.24150 0.16420 0.63230 0.01279
Cu2 0.61610 0.03110 0.87770 0.01570
Cu3 0.90820 0.19000 0.43160 0.01279
As1 0.41430 0.11340 0.36790 0.00963
As2 0.89600 0.06020 0.15070 0.00963
O1 0.60620 0.23810 0.41880 0.01039
O2 -0.03240 0.24060 0.10630 0.01077
O3 0.20820 0.13090 0.45680 0.01570
O4 0.08530 -0.07310 0.12100 0.01710
O5 0.33790 0.15410 0.22840 0.01102
O6 0.67010 -0.00460 0.08360 0.01900
O7 0.48090 -0.07050 0.36000 0.00988
O8 -0.13130 0.05280 0.29860 0.01621