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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/9/01/04/9010420.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_9010420
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 = 673 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 Fe0.784 K Mg2.216 O12 Si2.695'
_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                 100.069
_cell_angle_gamma                90
_cell_length_a                   5.3526
_cell_length_b                   9.2727
_cell_length_c                   10.2787
_cell_formula_units_Z            2
_cell_volume                     502.306
_database_code_amcsd             0004552
_diffrn_ambient_temperature      673
_exptl_crystal_density_diffrn    2.893
_cod_original_formula_sum        'K (Mg2.216 Fe.784) Si2.695 Al1.225 O12'
_cod_database_code               9010420
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 1.02790 0.05800
MgM1 0.00000 0.00000 0.50000 0.73970 0.01720
FeM1 0.00000 0.00000 0.50000 0.26030 0.01720
MgM2 0.00000 0.33520 0.50000 0.73800 0.01900
FeM2 0.00000 0.33520 0.50000 0.26200 0.01900
Si 0.07550 0.16680 0.22680 0.67380 0.01640
Al 0.07550 0.16680 0.22680 0.30620 0.01640
O1 0.31880 0.23560 0.16970 1.00000 0.03400
O2 0.02800 0.00000 0.17210 1.00000 0.03700
O3 0.13150 0.16720 0.39190 1.00000 0.02080
O4 0.12800 0.50000 0.39760 1.00000 0.02300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004552
