#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/69/9016922.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_9016922
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 E1
;
_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 Fe0.62 K0.913 Mg2.38 O10 Si3.928'
_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                 100.185
_cell_angle_gamma                90
_cell_length_a                   5.3239
_cell_length_b                   9.2204
_cell_length_c                   10.1192
_cell_formula_units_Z            2
_cell_volume                     488.909
_database_code_amcsd             0020181
_exptl_crystal_density_diffrn    2.965
_cod_data_source_file            inputs/fixed/downloads/05/05550.cif
_cod_data_source_block           05550
_cod_original_formula_sum        'K.913 Si3.928 Mg2.38 Fe.62 O10 F2'
_cod_database_code               9016922
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 0.91310 0.03140
SiT 0.57457 0.16688 0.22366 0.98190 0.00890
MgM1 0.00000 0.50000 0.50000 0.77620 0.00940
FeM1 0.00000 0.50000 0.50000 0.22360 0.00940
MgM2 0.00000 0.83630 0.50000 0.80190 0.01080
FeM2 0.00000 0.83630 0.50000 0.19800 0.01080
O1 0.81700 0.23770 0.16510 1.00000 0.01770
O2 0.53030 0.00000 0.16570 1.00000 0.01790
O3 0.63070 0.16760 0.38978 1.00000 0.01030
F4 0.12980 0.00000 0.40080 1.00000 0.01280
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020181
