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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/9/00/44/9004476.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_9004476
loop_
_publ_author_name
'Liang, J.'
'Hawthorne, F. C.'
'Swainson, I. P.'
_publ_section_title
;
 Triclinic muscovite: X-ray diffraction, neutron diffraction and
 photo-acoustic FTIR spectroscopy
 Sample: T = 12 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1017
_journal_page_last               1027
_journal_volume                  36
_journal_year                    1998
_chemical_formula_sum
'Al2.88 Fe0.02 H4 K0.89 Mn0.02 Na0.1 O12 Rb0.01 Si3.08'
_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                 95.738
_cell_angle_gamma                90
_cell_length_a                   5.1628
_cell_length_b                   8.962
_cell_length_c                   19.977
_cell_volume                     919.685
_diffrn_ambient_temperature      12
_exptl_crystal_density_diffrn    2.892
_cod_original_formula_sum
'Al2.88 Fe.02 Mn.02 Si3.08 (K.89 Na.1 Rb.01) H4 O12'
_cod_database_code               9004476
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
Al 0.26400 0.08200 0.00100 0.98000
Fe 0.26400 0.08200 0.00100 0.01000
Mn 0.26400 0.08200 0.00100 0.01000
SiT1 0.46400 0.93000 0.13700 0.77000
AlT1 0.46400 0.93000 0.13700 0.23000
SiT2 0.44900 0.26100 0.13400 0.77000
AlT2 0.44900 0.26100 0.13400 0.23000
K 0.00000 0.09200 0.25000 0.89000
Na 0.00000 0.09200 0.25000 0.10000
Rb 0.00000 0.09200 0.25000 0.01000
H1 0.39200 0.66800 0.05200 1.00000
H2 0.40200 0.63200 0.08800 1.00000
O1 0.40600 0.09100 0.16700 1.00000
O2 0.25300 0.80100 0.15700 1.00000
O3 0.24700 0.36800 0.16700 1.00000
O4 0.45700 0.94900 0.05200 1.00000
O5 0.38200 0.25300 0.05400 1.00000
O-h 0.46000 0.56000 0.05000 1.00000