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#$Date: 2016-04-13 03:51:39 +0300 (Wed, 13 Apr 2016) $
#$Revision: 182036 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/64/9016406.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_9016406
loop_
_publ_author_name
'Hazemann, J.-L.'
'B\'erar, J. F.'
'Manceau, A.'
_publ_section_title
;
 Rietveld studies of the aluminium-iron substitution in synthetic goethite
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              821
_journal_page_last               826
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.821
_journal_volume                  79-82
_journal_year                    1991
_chemical_formula_sum            'Fe O2'
_chemical_name_mineral           Goethite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6048
_cell_length_b                   9.9595
_cell_length_c                   3.023
_cell_volume                     138.639
_database_code_amcsd             0016645
_exptl_crystal_density_diffrn    4.209
_cod_duplicate_entry             1008768
_cod_database_code               9016406
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.04770 0.85390 0.25000
O1 0.70800 0.19960 0.25000
O2 0.20400 0.05310 0.25000