#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013732.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_9013732
loop_
_publ_author_name
'Drits, V. A.'
'Zviagina, B. B.'
'McCarty, D. K.'
'Salyn, A. L.'
_publ_section_title
;
 Factors responsible for crystal-chemical variations in the solid solutions
 from illite to aluminoceladonite and from glauconite to celadonite
 Sample Name: 10564
;
_journal_name_full               'American Mineralogist'
_journal_page_first              348
_journal_page_last               361
_journal_paper_doi               10.2138/am.2010.3300
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Athabasca basement; Saskatchewan, Canada'
_chemical_formula_sum            'Al2 H2 K O12 Si4'
_chemical_name_mineral           Illite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.00
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.1973
_cell_length_b                   8.999
_cell_length_c                   10.147
_cell_volume                     468.737
_database_code_amcsd             0005029
_exptl_crystal_density_diffrn    2.830
_cod_original_formula_sum        'K Al2 Si4 O12 H2'
_cod_database_code               9013732
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_type_symbol
_atom_site_attached_hydrogens
K 0.50000 0.65280 0.50000 K 0
Al1 0.50000 0.16670 0.00000 Al 0
Al2 0.00000 0.33330 0.00000 Al 0
Si1 0.43330 0.99210 0.26920 Si 0
Si2 0.91850 0.82050 0.26920 Si 0
O1 0.41520 0.99860 0.10630 O 0
O2 0.34320 0.30790 0.10630 O 0
O3 0.99580 0.65710 0.33430 O 0
O4 0.15850 0.93710 0.31290 O 0
O5 0.66960 0.88170 0.33430 O 0
O-H 0.84080 0.19000 0.10080 O 1
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 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:54:37+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 0005029