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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9003099.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_9003099
loop_
_publ_author_name
'Ferro O'
'Quartieri S'
'Vezzalini G'
'Ceriani C'
'Fois E'
'Gamba A'
'Cruciani G'
_publ_section_title
;
 Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study
 Sample: T = 30 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              94
_journal_page_last               101
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al H2 Li O7 Si2'
_chemical_name_mineral           Bikitaite
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.892
_cell_angle_beta                 114.423
_cell_angle_gamma                89.955
_cell_length_a                   8.6121
_cell_length_b                   4.9579
_cell_length_c                   7.6040
_cell_volume                     295.621
_diffrn_ambient_temperature      303.15
_[local]_cod_chemical_formula_sum_orig 'Li Al Si2 O7 H2'
loop_
_symmetry_equiv_pos_as_xyz
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
Li1 0.27000 0.39500 0.12800 0.05699
Li2 0.65900 0.87600 0.83100 0.05699
Al13 0.37300 0.89600 0.94200 0.03800
Al21 0.88000 0.39200 0.91000 0.03800
Si11 0.08600 0.87100 0.10000 0.04686
Si12 0.10380 0.80060 0.50490 0.04686
Si22 0.88500 0.32400 0.49100 0.04686
Si23 0.60700 0.38500 0.06800 0.04686
O11 0.25600 0.78700 0.06800 0.03926
O12 0.04900 0.18400 0.03500 0.03926
O13 0.15200 0.84800 0.32800 0.03926
O14 0.05500 0.49600 0.52600 0.03926
O15 0.26100 0.93300 0.69000 0.03926
O16 0.42300 0.22800 0.02000 0.03926
O21 0.71400 0.24000 0.95800 0.02913
O22 0.89900 0.73200 0.96300 0.02913
O23 0.82800 0.34500 0.66700 0.03926
O24 0.95300 0.02000 0.47500 0.03926
O25 0.73800 0.43200 0.29200 0.03926
O26 0.54300 0.67800 0.97300 0.02913
Wat17 0.41200 0.36600 0.41300 0.03800
Wat27 0.58300 0.84900 0.54100 0.03800
_cod_database_code 9003099