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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/05/9000529.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_9000529
loop_
_publ_author_name
'Prewitt, C. T.'
'Sueno, S.'
'Papike, J. J.'
_publ_section_title
;
 The crystal structures of high albite and monalbite at high temperatures
 T = 950 deg C
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1213
_journal_page_last               1225
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Al Na O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                91.161
_cell_angle_beta                 116.169
_cell_angle_gamma                90.03
_cell_length_a                   8.2508
_cell_length_b                   12.9489
_cell_length_c                   7.1431
_cell_volume                     684.755
_diffrn_ambient_temperature      1223.15
_exptl_crystal_density_diffrn    2.544
_cod_original_formula_sum        'Na (Si3 Al) O8'
_cod_database_code               9000529
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na 0.27800 0.00190 0.13710 1.00000 0.14768
Si1o 0.00860 0.17460 0.22100 0.75000 0.02748
Al1o 0.00860 0.17460 0.22100 0.25000 0.02748
Si1m 0.00720 0.81940 0.22530 0.75000 0.02736
Al1m 0.00720 0.81940 0.22530 0.25000 0.02736
Si2o 0.69510 0.11410 0.33630 0.75000 0.02786
Al2o 0.69510 0.11410 0.33630 0.25000 0.02786
Si2m 0.69380 0.88200 0.34650 0.75000 0.02799
Al2m 0.69380 0.88200 0.34650 0.25000 0.02799
Oa1 0.00160 0.13800 0.99520 1.00000 0.05041
Oa2 0.60330 0.99710 0.28310 1.00000 0.04078
Obo 0.82260 0.12820 0.21690 1.00000 0.05725
Obm 0.82220 0.85930 0.23230 1.00000 0.06016
Oco 0.02390 0.30050 0.26190 1.00000 0.04800
Ocm 0.02470 0.69330 0.24550 1.00000 0.04927
Odo 0.18940 0.11980 0.40010 1.00000 0.05155
Odm 0.18810 0.87360 0.41170 1.00000 0.05231