#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014565.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_9014565
loop_
_publ_author_name
'Ewing, F.'
_publ_section_title
;
 The Crystal Structure of Diaspore
 _cod_database_code 1011027
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              203
_journal_page_last               207
_journal_paper_doi               10.1063/1.1749634
_journal_volume                  3
_journal_year                    1935
_chemical_formula_sum            'Al O2'
_chemical_name_mineral           Diaspore
_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                   4.4
_cell_length_b                   9.39
_cell_length_c                   2.84
_cell_formula_units_Z            4
_cell_volume                     117.337
_database_code_amcsd             0017933
_exptl_crystal_density_diffrn    3.339
_cod_duplicate_entry             1011027
_cod_database_code               9014565
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
Al1 -0.03600 0.14600 -0.25000
O1 0.27000 -0.20000 -0.25000
O2 -0.21000 -0.05200 -0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017933