#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/52/9015231.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_9015231
loop_
_publ_author_name
'Ewing, F.'
_publ_section_title
;
 The Crystal Structure of Lepidocrocite
 _cod_database_code 1011026
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              420
_journal_page_last               424
_journal_paper_doi               10.1063/1.1749692
_journal_volume                  3
_journal_year                    1935
_chemical_formula_sum            'Fe O2'
_chemical_name_mineral           Lepidocrocite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-A 2 2a'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.87
_cell_length_b                   12.51
_cell_length_c                   3.06
_cell_formula_units_Z            4
_cell_volume                     148.146
_database_code_amcsd             0017932
_exptl_crystal_density_diffrn    3.939
_cod_duplicate_entry             1011026
_cod_database_code               9015231
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
x,1/2+y,1/2-z
-x,-y,z
-x,1/2-y,1/2+z
1/2-x,y,z
1/2-x,1/2+y,1/2+z
1/2+x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.25000 -0.32200 0.00000
O1 0.25000 0.28200 0.00000
O2 0.25000 0.07500 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017932
