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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/9/01/03/9010398.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_9010398
loop_
_publ_author_name
'Matarrese, S.'
'Schingaro, E.'
'Scordari, F.'
'Stoppa, F.'
'Rosatelli, G.'
'Pedrazzi, G.'
'Ottolini, L.'
_publ_section_title
;Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic
 rocks (Mt. Vulture, Italy) and volcanological implications Locality: Masseria
 Saraceno pyroclastic flow, Vulture-San Michele Subsynthem, Mt. Vulture, Italy
 Sample: VUT191_19
;
_journal_name_full               'American Mineralogist'
_journal_page_first              426
_journal_page_last               437
_journal_paper_doi               10.2138/am.2008.2587
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Fe0.993 H1.442 K Mg2.007 O12 Si3.96'
_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                 100.0569
_cell_angle_gamma                90
_cell_length_a                   5.3341
_cell_length_b                   9.2387
_cell_length_c                   10.1569
_cell_formula_units_Z            2
_cell_volume                     492.843
_exptl_crystal_density_diffrn    3.019
_cod_original_formula_sum        'K Mg2.007 Fe.993 Si3.96 O12 H1.442'
_cod_database_code               9010398
loop_
_symmetry_equiv_pos_as_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 0.00000 0.00000 1.00000 0.02870
Mg2+M1 0.00000 0.50000 0.50000 0.71500 0.01120
Fe2+M1 0.00000 0.50000 0.50000 0.28480 0.01120
Mg2+M2 0.00000 0.84109 0.50000 0.64590 0.01260
Fe2+M2 0.00000 0.84109 0.50000 0.35390 0.01260
Si4+T 0.57393 0.16714 0.22369 0.19000 0.01100
SiT 0.57393 0.16714 0.22369 0.80010 0.01100
O1 0.82670 0.22740 0.16610 1.00000 0.02040
O2 0.50930 0.00000 0.16750 1.00000 0.02040
O3 0.63050 0.16870 0.39140 1.00000 0.01200
O4 0.13340 0.00000 0.40060 1.00000 0.01320
H 0.09800 0.00000 0.31600 0.72090 0.01320
