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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/9/01/04/9010417.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_9010417
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 = 298 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
'Al1.226 Fe0.797 H1.187 K Mg2.203 O12 Si2.698'
_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                 100.031
_cell_angle_gamma                90
_cell_length_a                   5.3365
_cell_length_b                   9.2438
_cell_length_c                   10.2331
_cell_formula_units_Z            2
_cell_volume                     497.078
_database_code_amcsd             0004549
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.934
_cod_original_formula_sum
'K (Mg2.203 Fe.797) Si2.698 Al1.226 O12 H1.187'
_cod_database_code               9010417
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 1.02530 0.03090
MgM1 0.00000 0.00000 0.50000 0.73810 0.00960
FeM1 0.00000 0.00000 0.50000 0.26190 0.00960
MgM2 0.00000 0.33517 0.50000 0.73260 0.01050
FeM2 0.00000 0.33517 0.50000 0.26740 0.01050
Si 0.07523 0.16684 0.22587 0.67450 0.00930
Al 0.07523 0.16684 0.22587 0.30660 0.00930
O1 0.33016 0.22599 0.16870 1.00000 0.01880
O2 0.00800 0.00000 0.16946 1.00000 0.01880
O3 0.13081 0.16746 0.39157 1.00000 0.01090
O4 0.13192 0.50000 0.39889 1.00000 0.01210
H 0.11300 0.50000 0.32500 0.59360 0.01210
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004549
