#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/69/9016921.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_9016921
loop_
_publ_author_name
'Scordari, F.'
'Schingaro, E.'
'Ventruti, G.'
'Nicotra, E.'
'Viccaro, M.'
'Tagliani, S. M.'
_publ_section_title
;
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
 and implications for the crystallization conditions
 Note: Sample E0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1017
_journal_page_last               1025
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Piano delle Concazze, Mt. Etna, Italy'
_chemical_formula_sum            'F2 Fe0.605 K0.905 Mg2.395 O10 Si3.944'
_chemical_name_mineral           Fluorophlogopite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.168
_cell_angle_gamma                90
_cell_length_a                   5.3192
_cell_length_b                   9.2181
_cell_length_c                   10.1096
_cell_formula_units_Z            2
_cell_volume                     487.918
_database_code_amcsd             0020180
_exptl_crystal_density_diffrn    2.969
_cod_data_source_file            inputs/fixed/downloads/05/05549.cif
_cod_data_source_block           05549
_cod_original_formula_sum        'K.905 Si3.944 Mg2.395 Fe.605 O10 F2'
_cod_database_code               9016921
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 0.00000 0.00000 0.90490 0.03180
SiT 0.57450 0.16681 0.22369 0.98610 0.00920
MgM1 0.00000 0.50000 0.50000 0.77260 0.00980
FeM1 0.00000 0.50000 0.50000 0.22770 0.00980
MgM2 0.00000 0.83604 0.50000 0.81130 0.01050
FeM2 0.00000 0.83604 0.50000 0.18890 0.01050
O1 0.81760 0.23810 0.16520 1.00000 0.01830
O2 0.53020 0.00000 0.16550 1.00000 0.01860
O3 0.63040 0.16750 0.38980 1.00000 0.01000
F4 0.13060 0.00000 0.40030 1.00000 0.01290
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020180
