#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017095.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_9017095
loop_
_publ_author_name
'Ross, N. L.'
'Zhao, J.'
'Slebodnick, C.'
'Spencer, E. C.'
'Chakoumakos, B. C.'
_publ_section_title
;
 Petalite under pressure: Elastic behavior and phase stability
 Note: P = 0.56 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              714
_journal_page_last               721
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source
'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum            'Al Li O10 Si4'
_chemical_name_mineral           Petalite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 141.1896
_cell_angle_gamma                90
_cell_length_a                   11.1895
_cell_length_b                   5.1100
_cell_length_c                   11.6872
_cell_formula_units_Z            2
_cell_volume                     418.826
_database_code_amcsd             0020425
_diffrn_ambient_pressure         5.6e+05
_exptl_crystal_density_diffrn    2.428
_cod_data_source_file            inputs/fixed/downloads/05/05816.cif
_cod_data_source_block           05816
_cod_original_formula_sum        'Li Al Si4 O10'
_cod_database_code               9017095
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,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
Li1 0.50000 0.75600 0.25000 0.02000
Al1 0.50000 0.25520 0.25000 0.00830
Si1 0.78960 0.01870 0.79170 0.00830
Si2 0.79060 0.51610 0.64240 0.00860
O1 0.63180 -0.03400 0.77230 0.01560
O2 0.76860 -0.18830 0.67240 0.01360
O3 0.00000 0.00000 0.00000 0.02480
O4 0.75390 0.31190 0.71760 0.01630
O5 0.00000 0.46770 0.75000 0.02750
O6 0.63450 0.47710 0.42760 0.01130
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020425
