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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/30/9003077.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_9003077
loop_
_publ_author_name
'Nagai, T.'
'Kagi, H.'
'Yamanaka, T.'
_publ_section_title
;
 Variation of hydrogen bonded O...O distances in goethite at high pressure
 Sample at P = 0.5 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1423
_journal_page_last               1427
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Fe H 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                   4.6152
_cell_length_b                   9.9870
_cell_length_c                   3.0316
_cell_formula_units_Z            4
_cell_volume                     139.733
_database_code_amcsd             0003166
_diffrn_ambient_pressure         5e+05
_exptl_crystal_density_diffrn    4.176
_cod_database_code               9003077
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
Fe -0.04850 0.14660 0.25000
O1 0.28800 -0.19680 0.25000
O2 -0.19800 -0.05410 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 7969463
2 AMCSD 0003166
