#------------------------------------------------------------------------------
#$Date: 2017-10-14 23:18:49 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202019 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011412.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_9011412
loop_
_publ_author_name
'Hoppe, W.'
_publ_section_title
;Uber die kristallstruktur von alpha-AlOOH (diaspore) und alpha-Fe
 OOH(nadeleisenerz) Locality: Synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              73
_journal_page_last               89
_journal_volume                  103
_journal_year                    1940
_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                   4.59
_cell_length_b                   10.0
_cell_length_c                   3.03
_cell_volume                     139.077
_exptl_crystal_density_diffrn    4.195
_cod_database_code               9011412
loop_
_symmetry_equiv_pos_as_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 -0.04500 0.14600 0.25000
O1 0.31000 -0.20000 0.25000
O2 -0.20000 -0.04700 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 7969463