#------------------------------------------------------------------------------
#$Date: 2023-03-26 10:09:57 +0200 (Sun 26 de Mar de 2023) $
#$Revision: 282068 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/21/9002158.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_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
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9134
_cell_length_b                   3.0128
_cell_length_c                   4.5800
_cell_volume                     136.791
_database_code_amcsd             0002226
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    4.314
_cod_database_code               9002158
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,1/2-y,z
3 -x,1/2+y,-z
4 1/2-x,1/2+y,1/2+z
5 1/2+x,1/2-y,1/2-z
6 1/2+x,y,1/2-z
7 1/2-x,-y,1/2+z
8 -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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002226
