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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/05/9000528.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_9000528
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 = 750 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                91.956
_cell_angle_beta                 116.232
_cell_angle_gamma                90.078
_cell_length_a                   8.2296
_cell_length_b                   12.9336
_cell_length_c                   7.1357
_cell_volume                     680.780
_diffrn_ambient_temperature      1023.15
_exptl_crystal_density_diffrn    2.558
_[local]_cod_chemical_formula_sum_orig 'Na (Si3 Al) O8'
_cod_database_code               9000528
_amcsd_database_code             AMCSD#0000538
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 0.27690 0.00290 0.13740 1.00000 0.13678
Si1o 0.00870 0.17180 0.21890 0.75000 0.02394
Al1o 0.00870 0.17180 0.21890 0.25000 0.02394
Si1m 0.00660 0.81770 0.22680 0.75000 0.02343
Al1m 0.00660 0.81770 0.22680 0.25000 0.02343
Si2o 0.69400 0.11230 0.33160 0.75000 0.02381
Al2o 0.69400 0.11230 0.33160 0.25000 0.02381
Si2m 0.69190 0.88050 0.34940 0.75000 0.02394
Al2m 0.69190 0.88050 0.34940 0.25000 0.02394
Oa1 0.00300 0.13740 0.99120 1.00000 0.04559
Oa2 0.60120 0.99510 0.28250 1.00000 0.03610
Obo 0.82210 0.12250 0.21140 1.00000 0.04889
Obm 0.82160 0.85480 0.23700 1.00000 0.05370
Oco 0.02260 0.29740 0.26700 1.00000 0.04129
Ocm 0.02420 0.69150 0.23760 1.00000 0.04281
Odo 0.19120 0.11750 0.39510 1.00000 0.04445
Odm 0.18820 0.87140 0.41660 1.00000 0.04686