#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/07/9010740.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_9010740
loop_
_publ_author_name
'Scordari, Fernando'
'Ventruti, Gennaro'
'Sabato, Anna'
'Bellatreccia, Fabio'
'Della Ventura, Giancarlo'
'Pedrazzi, Giuseppe'
_publ_section_title
;Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a
 multianalytical, approach: substitutional mechanisms and orientation of the
 OH dipoles
;
_journal_issue                   3
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              379
_journal_page_last               391
_journal_paper_doi               10.1127/0935-1221/2006/0018-0379
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source
;Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy
Sample: SA1-51
;
_chemical_formula_sum            'Fe0.826 H1.39 K Mg2.172 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                 100.058
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.336
_cell_length_b                   9.236
_cell_length_c                   10.223
_cell_volume                     496.080
_database_code_amcsd             0007154
_exptl_crystal_density_diffrn    2.971
_cod_original_formula_sum        'K Mg2.172 Fe.826 Si4 O12 H1.39'
_cod_database_code               9010740
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 1.04510 0.03010
Mg1 0.00000 0.00000 0.50000 0.72490 0.00980
Fe1 0.00000 0.00000 0.50000 0.27360 0.00980
Mg2 0.00000 0.33579 0.50000 0.72350 0.01080
Fe2 0.00000 0.33579 0.50000 0.27600 0.01080
Si 0.07504 0.16693 0.22557 1.00000 0.00900
O1 0.32969 0.22605 0.16825 1.00000 0.01900
O2 0.00830 0.00000 0.16922 1.00000 0.01900
O3 0.13067 0.16769 0.39140 1.00000 0.01110
O4 0.13192 0.50000 0.39899 1.00000 0.01260
H 0.11200 0.50000 0.33100 0.69490 0.01260
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007154
