#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: svn://cod.ibt.lt/cod/cif/9/9012273.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_9012273
loop_
_publ_author_name
'Bokhimi, X.'
'Sanchez-Valente J'
'Pedraza, F.'
_publ_section_title
;
 Crystallization of sol-gel boehmite via hydrothermal annealing
 Locality: synthetic
 Sample: annealed t = 3 days, T = 473 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              182
_journal_page_last               190
_journal_volume                  166
_journal_year                    2002
_chemical_formula_sum            'Al H O2'
_chemical_name_mineral           Bohmite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.8656
_cell_length_b                   12.226
_cell_length_c                   3.6886
_cell_volume                     129.229
_[local]_cod_data_source_file    12142.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Al O2 H'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al 0.00000 -0.31720 0.25000
O1 0.00000 0.29020 0.25000
O-H2 0.00000 0.07870 0.25000
