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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/9/00/05/9000531.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_9000531
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 = 1105 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                90.1
_cell_angle_beta                 116.1
_cell_angle_gamma                90
_cell_length_a                   8.278
_cell_length_b                   12.959
_cell_length_c                   7.145
_cell_volume                     688.316
_diffrn_ambient_temperature      1378.15
_exptl_crystal_density_diffrn    2.530
_cod_original_formula_sum        'Na (Si3 Al) O8'
_cod_database_code               9000531
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 0.27970 0.00000 0.13820 1.00000 0.15945
Si1o 0.00810 0.17830 0.22300 0.75000 0.03166
Al1o 0.00810 0.17830 0.22300 0.25000 0.03166
Si1m 0.00800 0.82140 0.22330 0.75000 0.03204
Al1m 0.00800 0.82140 0.22330 0.25000 0.03204
Si2o 0.69630 0.11600 0.34200 0.75000 0.03179
Al2o 0.69630 0.11600 0.34200 0.25000 0.03179
Si2m 0.69640 0.88380 0.34260 0.75000 0.03166
Al2m 0.69640 0.88380 0.34260 0.25000 0.03166
Oa1 0.00020 0.13900 0.99950 1.00000 0.05598
Oa2 0.60720 0.99990 0.28500 1.00000 0.04344
Obo 0.82380 0.13450 0.22420 1.00000 0.06725
Obm 0.82390 0.86540 0.22520 1.00000 0.06776
Oco 0.02660 0.30410 0.25340 1.00000 0.05839
Ocm 0.02640 0.69570 0.25250 1.00000 0.05826
Odo 0.18820 0.12360 0.40500 1.00000 0.05725
Odm 0.18750 0.87610 0.40560 1.00000 0.05687