#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000837.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_9000837
loop_
_publ_author_name
'Richardson, S. M.'
'Richardson, J. W.'
_publ_section_title
;Crystal structure of a pink muscovite from Archer's Post, Kenya: Implications
 for reverse pleochroism in dioctahedral micas
;
_journal_name_full               'American Mineralogist'
_journal_page_first              69
_journal_page_last               75
_journal_volume                  67
_journal_year                    1982
_chemical_formula_sum            'Al3 H2 K O12 Si3'
_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                 95.782
_cell_angle_gamma                90
_cell_length_a                   5.1988
_cell_length_b                   9.0266
_cell_length_c                   20.1058
_cell_volume                     938.714
_exptl_crystal_density_diffrn    2.818
_cod_original_cell_volume        938.715
_cod_original_formula_sum        'K Si3 Al3 O12 H2'
_cod_database_code               9000837
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.02548 0.03467 0.04034 0.00000 0.00482 0.00000
Si1 0.01545 0.01940 0.03041 -0.00118 0.00419 0.00183
Al1 0.01559 0.01940 0.03041 -0.00118 0.00419 0.00183
Si2 0.01355 0.02105 0.02838 -0.00237 0.00314 -0.00091
Al2 0.01355 0.02105 0.02838 -0.00237 0.00314 -0.00091
Al3 0.00989 0.01858 0.02635 0.00000 0.00105 0.00183
O1 0.02345 0.02807 0.03446 -0.00237 0.00629 0.00000
O2 0.02155 0.02724 0.03446 0.00378 0.00157 0.00732
O3 0.03483 0.03467 0.03446 0.00095 0.00629 0.00091
O4 0.02087 0.03632 0.04054 0.00402 0.00210 0.00274
O5 0.02656 0.03921 0.04662 0.00213 0.00210 -0.00640
OH6 0.02656 0.03344 0.03649 -0.00426 0.00524 0.00091
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K 0.00000 0.09920 0.25000 1.00000
Si1 0.45100 0.25870 0.13550 0.75000
Al1 0.45100 0.25870 0.13550 0.25000
Si2 0.03540 0.42980 0.36460 0.75000
Al2 0.03540 0.42980 0.36460 0.25000
Al3 0.25060 0.08380 0.00020 1.00000
O1 0.38720 0.25250 0.05430 1.00000
O2 0.03660 0.44310 0.44590 1.00000
O3 0.41780 0.09310 0.16850 1.00000
O4 0.24750 0.37120 0.16850 1.00000
O5 0.25090 0.31320 0.34240 1.00000
O-H6 0.04220 0.06220 0.44920 1.00000