#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000708.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_9000708
loop_
_publ_author_name
'Winter, J. K.'
'Okamura, F. P.'
'Ghose, S.'
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 1060 deg C, sample = monalbite
 Note: this sample of feldspar is from Tiburon, Marin County, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'Al Na O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.01
_cell_angle_gamma                90
_cell_length_a                   8.297
_cell_length_b                   12.994
_cell_length_c                   7.144
_cell_volume                     692.195
_diffrn_ambient_temperature      1333.15
_exptl_crystal_density_diffrn    2.516
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_721'
_[local]_cod_chemical_formula_sum_orig 'Na (Si3 Al) O8'
_cod_database_code               9000708
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
-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
Na 0.27750 0.00000 0.13850 1.00000
Si1 0.00840 0.17870 0.22360 0.75000
Al1 0.00840 0.17870 0.22360 0.25000
Si2 0.69750 0.11660 0.34210 0.75000
Al2 0.69750 0.11660 0.34210 0.25000
Oa1 0.00000 0.14110 0.00000 1.00000
Oa2 0.61260 0.00000 0.28520 1.00000
Ob 0.82270 0.13660 0.22460 1.00000
Oc 0.02940 0.30490 0.25370 1.00000
Od 0.18730 0.12330 0.40440 1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.16366 0.23523 0.16435 0.00000 0.01868 0.00000
Si1 0.06169 0.03593 0.03091 -0.00393 0.01479 -0.00085
Al1 0.06169 0.03593 0.03091 -0.00393 0.01479 -0.00085
Si2 0.05465 0.02908 0.04072 -0.00344 0.01285 -0.00127
Al2 0.05465 0.02908 0.04072 -0.00344 0.01285 -0.00127
Oa1 0.08591 0.06501 0.04553 0.00000 0.04366 0.00000
Oa2 0.07915 0.03250 0.06578 0.00000 0.02231 0.00000
Ob 0.06620 0.08383 0.08834 -0.03092 0.04220 0.00634
Oc 0.10197 0.04191 0.07267 -0.00834 0.02644 -0.00507
Od 0.07211 0.07271 0.04824 0.00884 0.00679 0.00972