#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008237.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_9008237
loop_
_publ_author_name
'Saalfeld, H.'
'Wedde, M.'
_publ_section_title
;
 Refinement of the crystal structure of gibbsite, Al(OH)3
 Locality: Langesundfjord, Norway
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              129
_journal_page_last               135
_journal_volume                  139
_journal_year                    1974
_chemical_formula_sum            'Al H3 O3'
_chemical_name_mineral           Gibbsite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.54
_cell_angle_gamma                90
_cell_length_a                   8.684
_cell_length_b                   5.078
_cell_length_c                   9.736
_cell_formula_units_Z            8
_cell_volume                     427.985
_exptl_crystal_density_diffrn    2.421
_cod_original_formula_sum        'Al O3 H3'
_cod_database_code               9008237
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al1 0.16790 0.52950 -0.00230 ?
Al2 0.33440 0.02360 -0.00240 ?
O1 0.17790 0.21830 -0.11150 ?
O2 0.66920 0.65580 -0.10230 ?
O3 0.49840 0.13150 -0.10440 ?
O4 -0.02050 0.62930 -0.10680 ?
O5 0.29710 0.71780 -0.10520 ?
O6 0.81940 0.14910 -0.10150 ?
H1 0.10100 0.15200 -0.12400 0.01267
H2 0.59500 0.57300 -0.09800 0.01267
H3 0.50300 0.13700 -0.19000 0.01267
H4 -0.02900 0.80100 -0.10700 ?
H5 0.29300 0.72400 -0.19600 0.02533
H6 0.81500 0.16000 -0.19000 0.01267
_cod_duplicate_entry 1200016
