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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/9/01/04/9010415.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_9010415
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 = 100 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
'Al1.229 Fe0.781 H1.186 K Mg2.219 O12 Si2.704'
_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                   5.3278
_cell_length_b                   9.2225
_cell_length_c                   10.2087
_cell_formula_units_Z            2
_cell_volume                     493.943
_database_code_amcsd             0004547
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.951
_cod_original_formula_sum
'K (Mg2.219 Fe.781) Si2.704 Al1.229 O12 H1.186'
_cod_database_code               9010415
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 1.02760 0.01720
MgM1 0.00000 0.00000 0.50000 0.74080 0.00630
FeM1 0.00000 0.00000 0.50000 0.25920 0.00630
MgM2 0.00000 0.33520 0.50000 0.73930 0.00720
FeM2 0.00000 0.33520 0.50000 0.26070 0.00720
Si 0.07495 0.16686 0.22520 0.67610 0.00670
Al 0.07495 0.16686 0.22520 0.30730 0.00670
O1 0.33269 0.22311 0.16797 1.00000 0.01360
O2 0.00190 0.00000 0.16889 1.00000 0.01360
O3 0.13082 0.16751 0.39136 1.00000 0.00840
O4 0.13190 0.50000 0.39874 1.00000 0.00860
H 0.11100 0.50000 0.31900 0.59310 0.00860
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004547
