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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/50/9005014.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_9005014
loop_
_publ_author_name
'Catti, M.'
'Ferraris, G.'
'Ivaldi, G.'
_publ_section_title
;
 Thermal strain analysis in the crystal structure of muscovite at 700 C
 T= 700 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              625
_journal_page_last               632
_journal_paper_doi               10.1127/ejm/1/5/0625
_journal_volume                  1
_journal_year                    1989
_chemical_formula_sum
'Al2.84 Fe0.06 H2 K0.88 Mg0.02 Na0.11 O12 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                 95.74
_cell_angle_gamma                90
_cell_length_a                   5.229
_cell_length_b                   9.076
_cell_length_c                   20.322
_cell_formula_units_Z            4
_cell_volume                     959.614
_database_code_amcsd             0006359
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    2.754
_cod_original_formula_sum        'K.88 Na.11 Al2.84 Fe.06 Mg.02 Si3.08 O12 H2'
_cod_database_code               9005014
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 0.09830 0.25000 0.88000 0.06586
Na 0.00000 0.09830 0.25000 0.11000 0.06586
Al 0.25170 0.08360 0.00010 0.96000 0.01950
Fe 0.25170 0.08360 0.00010 0.03000 0.01950
Mg 0.25170 0.08360 0.00010 0.01000 0.01950
AlT1 0.46420 0.93060 0.13440 0.23000 0.01912
SiT1 0.46420 0.93060 0.13440 0.77000 0.01912
AlT2 0.45100 0.25900 0.13440 0.23000 0.01887
SiT2 0.45100 0.25900 0.13440 0.77000 0.01887
O1 0.42970 0.09370 0.16700 1.00000 0.03293
O2 0.24020 0.82080 0.15660 1.00000 0.03800
O3 0.23970 0.36290 0.16710 1.00000 0.03420
O4 0.46310 0.94510 0.05340 1.00000 0.02406
O5 0.37950 0.25140 0.05320 1.00000 0.02406
O6 0.45760 0.56220 0.04920 1.00000 0.03420
H 0.37100 0.62700 0.05000 1.00000 0.07979
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006359
