#------------------------------------------------------------------------------
#$Date: 2023-05-23 10:35:25 +0200 (Tue 23 de May de 2023) $
#$Revision: 283960 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/67/9016778.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_9016778
loop_
_publ_author_name
'Meneghinello, E.'
'Alberti, A.'
'Cruciani, G.'
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1090-12d
;
_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                93.46
_cell_angle_beta                 116.52
_cell_angle_gamma                89.72
_cell_formula_units_Z            4
_cell_length_a                   8.152
_cell_length_b                   12.831
_cell_length_c                   7.110
_cell_volume                     664.026
_database_code_amcsd             0002271
_exptl_crystal_density_diffrn    2.628
_cod_data_source_file            inputs/fixed/downloads/02/02295.cif
_cod_data_source_block           02295
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016778
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 0.27270 0.00200 0.13730 0.99600 Na 0
Ca 0.27270 0.00200 0.13730 0.01000 Ca 0
K 0.27270 0.00200 0.13730 0.00400 K 0
Al1o 0.00910 0.16670 0.21350 0.43000 Al 0
Si1o 0.00910 0.16670 0.21350 0.57000 Si 0
Si1m 0.00490 0.81590 0.23070 0.75000 Si 0
Al1m 0.00490 0.81590 0.23070 0.25000 Al 0
Si2o 0.69140 0.10890 0.32030 0.83000 Si 0
Al2o 0.69140 0.10890 0.32030 0.17000 Al 0
Si2m 0.68510 0.87870 0.35490 0.85000 Si 0
Al2m 0.68510 0.87870 0.35490 0.15000 Al 0
OA1 0.00480 0.13490 0.98100 1.00000 O 0
OA2 0.59440 0.99290 0.27950 1.00000 O 0
OBo 0.81960 0.10940 0.19760 1.00000 O 0
OBm 0.81830 0.84870 0.24750 1.00000 O 0
OCo 0.01770 0.29290 0.27400 1.00000 O 0
OCm 0.02180 0.68950 0.22230 1.00000 O 0
ODo 0.19830 0.11130 0.38890 1.00000 O 0
ODm 0.18720 0.86810 0.42820 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
;
2023-05-23T09:22:14+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 0002271
