#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/28/9012887.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_9012887
loop_
_publ_author_name
'Tomita, K.'
'Shiraki, K.'
'Kawano, M.'
_publ_section_title
;
 Crystal structure of dehydroxylated 2M1 sericite and its relationship with
 mixed-layer mica/smectite
 Sample: unheated
;
_journal_name_full               'Clay Science'
_journal_page_first              423
_journal_page_last               441
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum
'Al2.752 Ca0.01 Fe0.03 H2 K0.727 Mg0.022 Na0.17 O12 Si3.128 Ti0.02'
_chemical_name_mineral           Muscovite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.773
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1909
_cell_length_b                   9.0048
_cell_length_c                   20.1170
_cell_volume                     935.560
_database_code_amcsd             0012229
_exptl_crystal_density_diffrn    2.783
_cod_original_formula_sum
'K.727 Na.17 Ca.01 Al2.752 Fe.03 Mg.022 Si3.128 Ti.02 O12 H2'
_cod_database_code               9012887
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
_atom_site_type_symbol
_atom_site_attached_hydrogens
K1 0.00000 0.10400 0.25000 0.72700 0.04243 K 0
NaK1 0.00000 0.10400 0.25000 0.17000 0.04243 Na 0
CaK1 0.00000 0.10400 0.25000 0.01000 0.04243 Ca 0
AlM2 0.24900 0.08500 0.00010 0.93300 0.00773 Al 0
FeM2 0.24900 0.08500 0.00010 0.01500 0.00773 Fe 0
MgM2 0.24900 0.08500 0.00010 0.01100 0.00773 Mg 0
SiT1 0.45900 0.92900 0.13480 0.77700 0.02698 Si 0
AlT1 0.45900 0.92900 0.13480 0.22000 0.02698 Al 0
TiT1 0.45900 0.92900 0.13480 0.00500 0.02698 Ti 0
SiT2 0.45500 0.25900 0.13480 0.78700 0.02698 Si 0
AlT2 0.45500 0.25900 0.13480 0.22300 0.02698 Al 0
TiT2 0.45500 0.25900 0.13480 0.00500 0.02698 Ti 0
O1 0.46800 0.94600 0.05540 1.00000 0.02318 O 0
O2 0.38500 0.24900 0.05500 1.00000 0.02318 O 0
O3 0.41600 0.09800 0.16740 1.00000 0.02318 O 0
O4 0.25500 0.80800 0.15710 1.00000 0.02318 O 0
O5 0.25100 0.36900 0.16940 1.00000 0.02318 O 0
O-H6 0.44400 0.56800 0.04840 1.00000 0.02318 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
;
2023-05-10T18:54:20+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 0012229