#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/67/1536777.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1536777
loop_
_publ_author_name
'Yamaguchi, Goro'
'Sakamoto, Kenichi'
_publ_section_title
;
 Crystal structure of bayerite
;
_journal_issue                   1
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              140
_journal_page_last               141
_journal_paper_doi               10.1246/bcsj.31.140
_journal_volume                  31
_journal_year                    1958
_chemical_formula_sum            'Al H3 O3'
_chemical_name_systematic        'Al (O H)3'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.047
_cell_length_b                   5.047
_cell_length_c                   4.73
_cell_volume                     104.342
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            Yamaguchi_BCSJA8_1958_510.cif
_cod_data_source_block           H3Al1O3
_cod_original_cell_volume        104.3418
_cod_original_formula_sum        'H3 Al1 O3'
_cod_database_code               1536777
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z
x,x-y,-z
-x+y,y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z
-x,-x+y,z
x-y,-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al1 Al+3 0.3333 0.6667 0 1 0.0
O1 O-2 0.34 0 0.21 1 0.0
