#------------------------------------------------------------------------------
#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/60/9016012.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_9016012
loop_
_publ_author_name
'Guven, N.'
_publ_section_title
;
 The crystal structures of 2M1 phengite and 2M1 muscovite
 Note: sample 2M1 phengite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              196
_journal_page_last               212
_journal_volume                  134
_journal_year                    1971
_chemical_compound_source        'Tiburon Peninsula, California, USA'
_chemical_formula_sum
'Al2.038 Ba0.01 Ca0.02 Fe0.14 H2 K0.87 Mg0.5 Na0.07 O12 Si3.392 Ti0.01'
_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                 95.769
_cell_angle_gamma                90
_cell_length_a                   5.2112
_cell_length_b                   9.0383
_cell_length_c                   19.9473
_cell_volume                     934.767
_database_code_amcsd             0019601
_exptl_crystal_density_diffrn    2.860
_[local]_cod_chemical_formula_sum_orig
'K.87 Na.07 Ba.01 Ca.02 Al2.038 Mg.5 Ti.01 Fe.14 Si3.392 O12 H2'
_cod_database_code               9016012
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
K 0.00000 0.09640 0.25000 0.87000 0.02229
Na 0.00000 0.09640 0.25000 0.07000 0.02229
Ba 0.00000 0.09640 0.25000 0.01000 0.02229
Ca 0.00000 0.09640 0.25000 0.02000 0.02229
Al 0.24670 0.08250 0.00010 0.71500 0.00937
Mg 0.24670 0.08250 0.00010 0.25000 0.00937
Ti 0.24670 0.08250 0.00010 0.00500 0.00937
Fe 0.24670 0.08250 0.00010 0.07000 0.00937
AlT1 0.96320 0.42970 0.13550 0.15200 0.00760
SiT1 0.96320 0.42970 0.13550 0.84800 0.00760
AlT2 0.45250 0.25810 0.13540 0.15200 0.00760
SiT2 0.45250 0.25810 0.13540 0.84800 0.00760
Oa 0.95680 0.43960 0.05440 1.00000 0.01305
Ob 0.39330 0.24960 0.05370 1.00000 0.01355
Oc 0.44260 0.09310 0.16780 1.00000 0.01646
Od 0.73720 0.32570 0.16010 1.00000 0.01786
Oe 0.23260 0.35740 0.16820 1.00000 0.01558
O-H 0.95310 0.06560 0.05260 1.00000 0.01532