#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/78/9017831.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_9017831
loop_
_publ_author_name
'Brown, G. E.'
'Hamilton, W. C.'
'Prewitt, C. T.'
'Sueno, S.'
_publ_section_title
;
 Neutron diffraction study of Al/Si ordering in sanidine: a comparison with
 X-ray diffraction data
;
_journal_name_full
'The Feldspars: Proceedings of a NATO Advanced Study Institute'
_journal_page_first              68
_journal_page_last               80
_journal_year                    1974
_chemical_compound_source        'Laacher See, Eifel District, Germany'
_chemical_formula_sum            'Al K0.85 Na0.15 O8 Si3'
_chemical_name_mineral           Sanidine
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.99
_cell_angle_gamma                90
_cell_length_a                   8.539
_cell_length_b                   13.015
_cell_length_c                   7.179
_cell_volume                     717.154
_database_code_amcsd             0020556
_exptl_crystal_density_diffrn    2.555
_cod_data_source_file            inputs/fixed/downloads/20/20321.cif
_cod_data_source_block           20321
_cod_original_formula_sum        '(K.85 Na.15) (Si3 Al) O8'
_cod_database_code               9017831
loop_
_space_group_symop_operation_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_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
KM 0.01850 0.04291 0.03291 0.00000 0.00753 0.00000
NaM 0.01850 0.04291 0.03291 0.00000 0.00753 0.00000
SiT1s 0.00955 0.01201 0.00696 -0.00202 0.00351 -0.00043
AlT1a 0.00955 0.01201 0.00696 -0.00202 0.00351 -0.00043
SiT2s 0.00985 0.00858 0.00865 -0.00051 0.00301 0.00000
AlT2a 0.00985 0.00858 0.00865 -0.00051 0.00301 0.00000
Oa1 0.02447 0.01974 0.01519 0.00000 0.01004 0.00000
Oa2 0.01910 0.01201 0.02046 0.00000 0.00326 0.00000
Ob 0.01880 0.03089 0.02616 -0.00455 0.01405 0.00043
Oc 0.01522 0.01545 0.02067 -0.00202 0.00502 -0.00213
Od 0.01880 0.02060 0.01076 0.00253 0.00201 0.00128
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
KM 0.28370 0.00000 0.13690 0.85000 0.02660
NaM 0.28370 0.00000 0.13690 0.15000 0.02660
SiT1s 0.00970 0.18430 0.22380 0.68500 0.00887
AlT1a 0.00970 0.18430 0.22380 0.31500 0.00887
SiT2s 0.70750 0.11780 0.34420 0.81500 0.00798
AlT2a 0.70750 0.11780 0.34420 0.18500 0.00798
Oa1 0.00000 0.14590 0.00000 1.00000 0.01938
Oa2 0.63340 0.00000 0.28480 1.00000 0.01722
Ob 0.82770 0.14520 0.22640 1.00000 0.02419
Oc 0.03350 0.31000 0.25750 1.00000 0.01697
Od 0.18130 0.12620 0.40440 1.00000 0.01849
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020556