#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016775.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_9016775
loop_
_publ_author_name
'Meneghinello, E.'
'Alberti, A.'
'Cruciani, G.'
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1080-7d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                94.00
_cell_angle_beta                 116.51
_cell_angle_gamma                88.13
_cell_formula_units_Z            4
_cell_length_a                   8.142
_cell_length_b                   12.782
_cell_length_c                   7.136
_cell_volume                     662.946
_database_code_amcsd             0002268
_exptl_crystal_density_diffrn    2.632
_cod_data_source_file            inputs/fixed/downloads/02/02292.cif
_cod_data_source_block           02292
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016775
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
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
Na 0.26990 0.99110 0.14530 0.99600 Na 0
Ca 0.26990 0.99110 0.14530 0.01000 Ca 0
K 0.26990 0.99110 0.14530 0.00400 K 0
Al1o 0.00890 0.16870 0.20980 0.90000 Al 0
Si1o 0.00890 0.16870 0.20980 0.10000 Si 0
Si1m 0.00410 0.81930 0.23570 0.95000 Si 0
Al1m 0.00410 0.81930 0.23570 0.05000 Al 0
Si2o 0.69230 0.11030 0.31670 0.98000 Si 0
Al2o 0.69230 0.11030 0.31670 0.02000 Al 0
Si2m 0.68330 0.88120 0.35930 0.97000 Si 0
Al2m 0.68330 0.88120 0.35930 0.03000 Al 0
OA1 0.00480 0.13230 0.97000 1.00000 O 0
OA2 0.59410 0.99660 0.28120 1.00000 O 0
OBo 0.81380 0.11120 0.19230 1.00000 O 0
OBm 0.82030 0.85040 0.25580 1.00000 O 0
OCo 0.01490 0.30100 0.27080 1.00000 O 0
OCm 0.02370 0.69280 0.22910 1.00000 O 0
ODo 0.20450 0.11030 0.38880 1.00000 O 0
ODm 0.18390 0.86820 0.43350 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
;
2023-05-23T09:22:17+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 0002268
