#------------------------------------------------------------------------------
#$Date: 2009-11-20 13:07:27 +0200 (Fri, 20 Nov 2009) $
#$Revision: 893 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002158.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_9002158
loop_
_publ_author_name
'Gualtieri A'
'Venturelli P'
_publ_section_title
;
 In situ study of the goethite-hematite phase transformation by real time
 synchrotron powder diffraction
 Sample at T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              895
_journal_page_last               904
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_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                   9.9134
_cell_length_b                   3.0128
_cell_length_c                   4.5800
_cell_volume                     136.791
_diffrn_ambient_temperature      298.15
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
Fe 0.14590 0.25000 -0.04860 0.04900
H -0.10100 0.25000 -0.39900 0.06000
O1 -0.19900 0.25000 0.28500 0.04600
O2 -0.05170 0.25000 -0.19600 0.04600