#------------------------------------------------------------------------------
#$Date: 2023-05-18 09:14:51 +0200 (Thu 18 de May de 2023) $
#$Revision: 283850 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/72/9017290.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_9017290
loop_
_publ_author_name
'Ribbe, P. H.'
_publ_section_title
;
 A refinement of the crystal structure of sanidinised orthoclase
 Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              426
_journal_page_last               427
_journal_volume                  16
_journal_year                    1963
_chemical_compound_source        Unknown
_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                 115.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.48
_cell_length_b                   12.97
_cell_length_c                   7.18
_cell_volume                     709.895
_database_code_amcsd             0020563
_exptl_crystal_density_diffrn    2.604
_cod_data_source_file            inputs/fixed/downloads/10/10678.cif
_cod_data_source_block           10678
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9017290
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_type_symbol
_atom_site_attached_hydrogens
K 0.28400 0.00000 0.13520 1.00000 K 0
Si1 0.00970 0.18500 0.22330 0.75000 Si 0
Al1 0.00970 0.18500 0.22330 0.25000 Al 0
Si2 0.70890 0.11780 0.34440 0.75000 Si 0
Al2 0.70890 0.11780 0.34440 0.25000 Al 0
Oa1 0.00000 0.14720 0.00000 1.00000 O 0
Oa2 0.63430 0.00000 0.28580 1.00000 O 0
Ob 0.82730 0.14690 0.22530 1.00000 O 0
Oc 0.03470 0.31000 0.25790 1.00000 O 0
Od 0.17930 0.12690 0.40240 1.00000 O 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9581 2023-05-17 12:35:41Z saulius
;
2023-05-18T08:46:41+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020563
