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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/62/9016241.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_9016241
loop_
_publ_author_name
'Scordari, F.'
'Schingaro, E.'
'Ventruti, G.'
'Lacalamita, M.'
'Ottolini, L.'
_publ_section_title
;
 Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content
 appraisal by a multi-methodic approach
 Note: Sample LC6_R29
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              163
_journal_page_last               174
_journal_paper_doi               10.1007/s00269-007-0208-0
_journal_volume                  35
_journal_year                    2008
_chemical_compound_source        'Mt. Vulture, Italy'
_chemical_formula_sum            'Fe0.812 H1.554 K Mg2.188 O12 Si4'
_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                 100.014
_cell_angle_gamma                90
_cell_length_a                   5.3400
_cell_length_b                   9.2376
_cell_length_c                   10.2414
_cell_formula_units_Z            2
_cell_volume                     497.499
_database_code_amcsd             0018309
_exptl_crystal_density_diffrn    2.961
_cod_original_formula_sum        'K (Mg2.188 Fe.812) Si4 O12 H1.554'
_cod_database_code               9016241
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 1.00000 0.03130
MgM1 0.00000 0.00000 0.50000 0.77800 0.01050
FeM1 0.00000 0.00000 0.50000 0.22200 0.01050
MgM2 0.00000 0.33710 0.50000 0.70500 0.01140
FeM2 0.00000 0.33710 0.50000 0.29500 0.01140
Si 0.07470 0.16720 0.22510 1.00000 0.01060
O1 0.32740 0.22870 0.16900 1.00000 0.02280
O2 0.01300 0.00000 0.17080 1.00000 0.02210
O3 0.13170 0.16930 0.39230 1.00000 0.01380
O4 0.13200 0.50000 0.39970 1.00000 0.01580
H 0.11000 0.50000 0.31000 0.77700 0.01580
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018309
