#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/77/9017780.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_9017780
loop_
_publ_author_name
'Kimata, M.'
'Saito, S.'
'Shimizu, M.'
'Iida, I.'
'Matsui, T.'
_publ_section_title
;
 Low-temperature structures of orthoclase and sanidine
 Note: T = 296 K
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              199
_journal_page_last               213
_journal_volume                  171
_journal_year                    1996
_chemical_compound_source        'Volkesfeld, Eifel, Germany'
_chemical_formula_sum            'Al K 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                   8.534
_cell_length_b                   13.010
_cell_length_c                   7.176
_cell_volume                     716.159
_database_code_amcsd             0020561
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    2.581
_cod_data_source_file            inputs/fixed/downloads/18/18895.cif
_cod_data_source_block           18895
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9017780
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
K 0.28410 0.00000 0.13700 1.00000 0.02956
SiT1 0.00930 0.18430 0.22390 0.69200 0.01126
AlT1 0.00930 0.18430 0.22390 0.30800 0.01126
SiT2 0.70750 0.11770 0.34440 0.80800 0.01046
AlT2 0.70750 0.11770 0.34440 0.19200 0.01046
Oa1 0.00000 0.14610 0.00000 1.00000 0.02072
Oa2 0.63320 0.00000 0.28560 1.00000 0.02120
Ob 0.82730 0.14530 0.22670 1.00000 0.02366
Oc 0.03300 0.30980 0.25740 1.00000 0.01887
Od 0.18140 0.12650 0.40480 1.00000 0.01947
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020561