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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/30/9003099.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_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
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_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
_database_code_amcsd             0003188
_diffrn_ambient_temperature      303.15
_exptl_crystal_density_diffrn    2.293
_cod_original_formula_sum        'Li Al Si2 O7 H2'
_cod_database_code               9003099
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0003188