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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/9/00/51/9005187.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_9005187
loop_
_publ_author_name
'Catti, M.'
'Ferraris, G.'
'Hull, S.'
'Pavese, A.'
_publ_section_title
;
 Powder neutron diffraction study of 2M_1 muscovite
 at room pressure and at 2 GPa
 Sample: P = 1 bar
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              171
_journal_page_last               178
_journal_volume                  6
_journal_year                    1994
_chemical_formula_sum
'Al2.4 Fe0.22 H2 K0.9 Mg0.16 Na0.07 O12 Si3.2 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                 95.76
_cell_angle_gamma                90
_cell_length_a                   5.2108
_cell_length_b                   9.0399
_cell_length_c                   20.021
_cell_formula_units_Z            4
_cell_volume                     938.330
_database_code_amcsd             0006533
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.850
_cod_original_formula_sum
'K.9 Na.07 Al2.4 Fe.22 Mg.16 Ti.02 Si3.2 O12 H2'
_cod_database_code               9005187
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 0.09490 0.25000 0.90000 0.02660
Na 0.00000 0.09490 0.25000 0.07000 0.02660
Al 0.24890 0.08340 -0.00100 0.80000 0.00773
Fe 0.24890 0.08340 -0.00100 0.11000 0.00773
Mg 0.24890 0.08340 -0.00100 0.08000 0.00773
Ti 0.24890 0.08340 -0.00100 0.01000 0.00773
Si1 0.46360 0.92670 0.13750 0.80000 0.01013
Al1 0.46360 0.92670 0.13750 0.20000 0.01013
Si2 0.45440 0.25860 0.13650 0.80000 0.01520
Al2 0.45440 0.25860 0.13650 0.20000 0.01520
O1 0.42840 0.09340 0.16870 1.00000 0.01520
O2 0.24530 0.81540 0.15800 1.00000 0.01697
O3 0.24750 0.36630 0.16950 1.00000 0.01874
O4 0.46380 0.94190 0.05370 1.00000 0.00874
O5 0.39060 0.25050 0.05350 1.00000 0.01039
O6 0.45390 0.56250 0.05150 1.00000 0.01874
H 0.36420 0.65250 0.05590 1.00000 0.05319
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006533
