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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/04/9010421.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_9010421
loop_
_publ_author_name
'Ventruti, G.'
'Zema, M.'
'Scordari, F.'
'Pedrazzi, G.'
_publ_section_title
;
 Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy):
 An in situ X-ray single-crystal diffraction study
 Sample: T = 873 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              632
_journal_page_last               643
_journal_paper_doi               10.2138/am.2008.2700
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source
'trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy'
_chemical_formula_sum            'Al1.225 Fe0.786 K Mg2.214 O12 Si2.696'
_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                 100.081
_cell_angle_gamma                90
_cell_length_a                   5.3583
_cell_length_b                   9.2866
_cell_length_c                   10.2960
_cell_formula_units_Z            2
_cell_volume                     504.423
_database_code_amcsd             0004553
_diffrn_ambient_temperature      873
_exptl_crystal_density_diffrn    2.881
_cod_original_formula_sum        'K (Mg2.214 Fe.786) Si2.696 Al1.225 O12'
_cod_database_code               9010421
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 1.03310 0.07900
MgM1 0.00000 0.00000 0.50000 0.73830 0.02180
FeM1 0.00000 0.00000 0.50000 0.26170 0.02180
MgM2 0.00000 0.33640 0.50000 0.73780 0.02290
FeM2 0.00000 0.33640 0.50000 0.26220 0.02290
Si 0.07610 0.16680 0.22770 0.67390 0.01980
Al 0.07610 0.16680 0.22770 0.30630 0.01980
O1 0.31700 0.24150 0.16790 1.00000 0.03800
O2 0.03800 0.00000 0.17200 1.00000 0.03600
O3 0.13080 0.16820 0.39180 1.00000 0.02500
O4 0.13100 0.50000 0.39920 1.00000 0.02400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004553
