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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/58/9015879.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_9015879
loop_
_publ_author_name
'Zema, M.'
'Ventruti, G.'
'Lacalamita, M.'
'Scordari, F.'
_publ_section_title
;
 Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite
 under isothermal conditions
 Sample: SA1_18n
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1458
_journal_page_last               1466
_journal_paper_doi               10.2138/am.2010.3523
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Mt. Vulture, Potenza, Italy'
_chemical_formula_sum
'Al1.36 Ba0.03 F0.16 Fe0.806 H1.35 K0.89 Mg2.194 Na0.08 O11.84 Si2.64'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.014
_cell_angle_gamma                90
_cell_length_a                   5.32568
_cell_length_b                   9.2207
_cell_length_c                   10.2093
_cell_formula_units_Z            2
_cell_volume                     493.705
_database_code_amcsd             0017713
_exptl_crystal_density_diffrn    2.985
_cod_original_formula_sum
'(K.89 Na.08 Ba.03) (Mg2.194 Fe.806) (Si2.64 Al1.36) O11.84 F.16 H1.35'
_cod_database_code               9015879
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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 0.50000 0.00000 0.89000 0.02930
Na 0.00000 0.50000 0.00000 0.08000 0.02930
Ba 0.00000 0.50000 0.00000 0.03000 0.02930
Mg1 0.00000 0.00000 0.50000 0.73980 0.00920
Fe1 0.00000 0.00000 0.50000 0.26020 0.00920
Mg2 0.00000 0.33624 0.50000 0.72710 0.01030
Fe2 0.00000 0.33624 0.50000 0.27290 0.01030
Si 0.07499 0.16691 0.22564 0.66000 0.00860
Al 0.07499 0.16691 0.22564 0.34000 0.00860
O1 0.32993 0.22590 0.16846 1.00000 0.01800
O2 0.00800 0.00000 0.16946 1.00000 0.01800
O3 0.13066 0.16766 0.39162 1.00000 0.01060
O4 0.13241 0.50000 0.39916 0.92000 0.01140
F4 0.13241 0.50000 0.39916 0.08000 0.01140
H 0.10100 0.50000 0.31800 0.67500 0.06000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017713
