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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/07/9010737.cif $
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#
# 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_9010737
loop_
_publ_author_name
'Scordari, F.'
'Ventruti, G.'
'Sabato, A.'
'Bellatreccia, F.'
'Della Ventura, G.'
'Pedrazzi, G.'
_publ_section_title
;Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a
 multianalytical, approach: substitutional mechanisms and orientation of the
 OH dipoles Locality: Cava St. Antonio, Mt. Vulture, Potenza, Italy Sample:
 SA1-3
;
_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
'Cava St. Antonio, Mt. Vulture, Potenza, Italy'
_chemical_formula_sum            'Fe0.755 H1.421 K Mg2.245 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                 100.030
_cell_angle_gamma                90
_cell_length_a                   5.337
_cell_length_b                   9.239
_cell_length_c                   10.237
_cell_formula_units_Z            2
_cell_volume                     497.057
_database_code_amcsd             0007151
_exptl_crystal_density_diffrn    2.950
_cod_original_formula_sum        'K (Mg2.245 Fe.755) Si4 O12 H1.421'
_cod_database_code               9010737
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 1.06570 0.03210
Mg1 0.00000 0.00000 0.50000 0.74600 0.01140
Fe1 0.00000 0.00000 0.50000 0.25390 0.01140
Mg2 0.00000 0.33500 0.50000 0.74960 0.01200
Fe2 0.00000 0.33500 0.50000 0.25040 0.01200
Si 0.07516 0.16682 0.22580 1.00000 0.01170
O1 0.33060 0.22528 0.16875 1.00000 0.02130
O2 0.00680 0.00000 0.16960 1.00000 0.02040
O3 0.13070 0.16761 0.39126 1.00000 0.01280
O4 0.13240 0.50000 0.39890 1.00000 0.01420
H 0.11900 0.50000 0.31300 0.71050 0.01420
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007151
