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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/9/00/07/9000783.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_9000783
loop_
_publ_author_name
'Harlow, G. E.'
'Brown, G. E.'
_publ_section_title
;
 Low albite: An X-Ray and neutron diffraction study
 Sample: X-ray single Na atom
 Note: this sample of feldspar is from Amelia, Virginia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              986
_journal_page_last               995
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Al1.005 Na0.986 O8 Si2.995'
_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                94.19
_cell_angle_beta                 116.61
_cell_angle_gamma                87.68
_cell_length_a                   8.142
_cell_length_b                   12.785
_cell_length_c                   7.159
_cell_volume                     664.477
_database_code_amcsd             0000797
_exptl_crystal_density_diffrn    2.618
_cod_original_formula_sum        'Al1.005 Si2.995 Na.986 O8'
_cod_database_code               9000783
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_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
Al1o 0.00894 0.00577 0.00544 -0.00094 0.00302 0.00008
Si1o 0.00894 0.00577 0.00544 -0.00094 0.00302 0.00008
Si1m 0.00744 0.00461 0.00453 0.00099 0.00269 0.00054
Al1m 0.00744 0.00461 0.00453 0.00099 0.00269 0.00054
Si2o 0.00660 0.00379 0.00633 -0.00009 0.00212 0.00000
Si2m 0.00671 0.00404 0.00658 0.00052 0.00273 0.00062
Na1 0.01664 0.04316 0.03035 -0.00376 0.00839 -0.02129
Oa1 0.01922 0.00997 0.00689 0.00127 0.00697 0.00095
Oa2 0.00902 0.00568 0.01210 -0.00019 0.00299 0.00116
Obo 0.01391 0.01202 0.01629 -0.00315 0.00957 -0.00128
Obm 0.01592 0.01433 0.02173 0.00456 0.01251 0.00116
Oco 0.01404 0.00675 0.01367 -0.00118 0.00511 -0.00111
Ocm 0.01302 0.00675 0.01389 0.00226 0.00302 0.00058
Odo 0.01514 0.01194 0.00833 0.00310 0.00130 0.00194
Odm 0.01702 0.01252 0.00901 -0.00188 -0.00005 -0.00107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1o 0.00878 0.16864 0.20805 0.97000
Si1o 0.00878 0.16864 0.20805 0.03000
Si1m 0.00382 0.82064 0.23734 0.96500
Al1m 0.00382 0.82064 0.23734 0.03500
Si2o 0.69210 0.11040 0.31507 1.00000
Si2m 0.68175 0.88189 0.36071 1.00000
Na1 0.26839 0.98867 0.14628 0.98600
Oa1 0.00481 0.12120 0.96610 1.00000
Oa2 0.59166 0.99766 0.27967 1.00000
Obo 0.81285 0.11039 0.19124 1.00000
Obm 0.82061 0.85121 0.25942 1.00000
Oco 0.01348 0.30276 0.27023 1.00000
Ocm 0.02402 0.69390 0.22938 1.00000
Odo 0.20765 0.10922 0.38898 1.00000
Odm 0.18316 0.86825 0.43555 1.00000