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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$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_length_a                   5.1909
_cell_length_b                   9.0048
_cell_length_c                   20.1170
_cell_volume                     935.560
_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_
_symmetry_equiv_pos_as_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
K1 0.00000 0.10400 0.25000 0.72700 0.04243
NaK1 0.00000 0.10400 0.25000 0.17000 0.04243
CaK1 0.00000 0.10400 0.25000 0.01000 0.04243
AlM2 0.24900 0.08500 0.00010 0.93300 0.00773
FeM2 0.24900 0.08500 0.00010 0.01500 0.00773
MgM2 0.24900 0.08500 0.00010 0.01100 0.00773
SiT1 0.45900 0.92900 0.13480 0.77700 0.02698
AlT1 0.45900 0.92900 0.13480 0.22000 0.02698
TiT1 0.45900 0.92900 0.13480 0.00500 0.02698
SiT2 0.45500 0.25900 0.13480 0.78700 0.02698
AlT2 0.45500 0.25900 0.13480 0.22300 0.02698
TiT2 0.45500 0.25900 0.13480 0.00500 0.02698
O1 0.46800 0.94600 0.05540 1.00000 0.02318
O2 0.38500 0.24900 0.05500 1.00000 0.02318
O3 0.41600 0.09800 0.16740 1.00000 0.02318
O4 0.25500 0.80800 0.15710 1.00000 0.02318
O5 0.25100 0.36900 0.16940 1.00000 0.02318
O-H6 0.44400 0.56800 0.04840 1.00000 0.02318