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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/9/01/65/9016594.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_9016594
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 LC7_R2
;
_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            'Fe0.665 H1.072 K Mg2.335 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                 100.050
_cell_angle_gamma                90
_cell_length_a                   5.3369
_cell_length_b                   9.2355
_cell_length_c                   10.2267
_cell_formula_units_Z            2
_cell_volume                     496.329
_database_code_amcsd             0018310
_exptl_crystal_density_diffrn    2.933
_cod_original_formula_sum        'K (Mg2.335 Fe.665) Si4 O12 H1.072'
_cod_database_code               9016594
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 0.03450
MgM1 0.00000 0.00000 0.50000 0.80500 0.01290
FeM1 0.00000 0.00000 0.50000 0.19500 0.01290
MgM2 0.00000 0.33520 0.50000 0.76500 0.01370
FeM2 0.00000 0.33520 0.50000 0.23500 0.01370
Si 0.07510 0.16720 0.22560 1.00000 0.01250
O1 0.32770 0.22850 0.16950 1.00000 0.02180
O2 0.01290 0.00000 0.17040 1.00000 0.02140
O3 0.13070 0.16830 0.39190 1.00000 0.01410
O4 0.13270 0.50000 0.40040 1.00000 0.01210
H 0.09000 0.50000 0.31100 0.53600 0.01210
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018310
