#------------------------------------------------------------------------------
#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015469.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_9015469
loop_
_publ_author_name
'Likhachieva, A. Y.'
'Rashchenko, S. V.'
'Seryotkin, Y. V.'
_publ_section_title
;
 The deformation mechanism of a pressure-induced phase transition
 in dehydrated analcime
 Note: dehydrated, P = 0 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              129
_journal_page_last               142
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Nidym River, East Siberia, Russia'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Analcime
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.18
_cell_angle_gamma                90
_cell_length_a                   13.7249
_cell_length_b                   13.5270
_cell_length_c                   13.6938
_cell_volume                     2542.333
_database_code_amcsd             0018999
_exptl_crystal_density_diffrn    2.112
_[local]_cod_chemical_formula_sum_orig 'Na (Al Si2) O6'
_cod_original_cell_volume        2542.334
_cod_database_code               9015469
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-x,y,-z
-x,1/2+y,1/2-z
1/2+x,-y,z
+x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na11 0.15330 0.98200 0.27910 1.00000
Na2 0.00600 0.25900 0.10400 1.00000
Al11A 0.12190 0.15940 0.40980 0.33333
Si11A 0.12190 0.15940 0.40980 0.66667
Al11B 0.87700 0.34020 0.40860 0.33333
Si11B 0.87700 0.34020 0.40860 0.66667
Al12A 0.41890 0.12460 0.16770 0.33333
Si12A 0.41890 0.12460 0.16770 0.66667
Al12B 0.58160 0.37590 0.16850 0.33333
Si12B 0.58160 0.37590 0.16850 0.66667
Al2A 0.15980 0.40930 0.12890 0.33333
Si2A 0.15980 0.40930 0.12890 0.66667
Al2B 0.84100 0.09050 0.12770 0.33333
Si2B 0.84100 0.09050 0.12770 0.66667
O11A 0.09820 0.35270 0.21650 1.00000
O11B 0.90330 0.14660 0.21510 1.00000
O12A 0.38650 0.13620 0.47170 1.00000
O12B 0.61320 0.36320 0.47316 1.00000
O21A 0.22360 0.11380 0.36170 1.00000
O21B 0.77564 0.38680 0.36100 1.00000
O22A 0.14610 0.47037 0.36470 1.00000
O22B 0.85230 0.02977 0.36200 1.00000
O31A 0.38820 0.21870 0.10180 1.00000
O31B 0.61400 0.28120 0.10400 1.00000
O32A 0.46610 0.39920 0.15240 1.00000
O32B 0.53460 0.10160 0.15370 1.00000
_journal_paper_doi 10.1180/minmag.2012.076.1.129