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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012864.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_9012864
loop_
_publ_author_name
'Sarp, H.'
'Guenee, L.'
_publ_section_title
;
 Radovanite, Cu2Fe3+(As5+O4)(As3+O2OH)2H2O, a new mineral: its description
 and crystal structure
 Locality: Roua, northwestern part of Alpes-Maritimes, France
;
_journal_name_full               'Archives des Sciences, Geneve'
_journal_page_first              47
_journal_page_last               55
_journal_volume                  55
_journal_year                    2002
_chemical_formula_sum            'As3 Cu2 Fe H4 O11'
_chemical_name_mineral           Radovanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.585
_cell_length_b                   13.143
_cell_length_c                   8.0884
_cell_volume                     1018.941
_exptl_crystal_density_diffrn    3.821
_[local]_cod_chemical_formula_sum_orig 'Cu2 Fe As3 O11 H4'
_cod_database_code               9012864
_amcsd_database_code             AMCSD#0013786
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-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_U_iso_or_equiv
Cu 0.25350 0.13718 0.75120 0.01420
Fe 0.00000 0.00000 0.50000 0.00830
As1 0.00950 0.25000 0.53920 0.00700
As2 0.29252 0.06939 0.30010 0.01230
O1 0.00390 0.14550 0.42300 0.01300
O2 0.11470 0.03080 0.70200 0.01200
O3 0.32480 0.02640 0.87470 0.01700
O-H4 0.39970 0.08140 0.48300 0.02600
O5 0.38060 0.25000 0.81800 0.01800
Wat6 0.07800 0.25000 0.02400 0.03500
O7 0.16530 0.25000 0.63500 0.01100