#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/03/9010396.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_9010396
loop_
_publ_author_name
'Matarrese, S.'
'Schingaro, E.'
'Scordari, F.'
'Stoppa, F.'
'Rosatelli, G.'
'Pedrazzi, G.'
'Ottolini, L.'
_publ_section_title
;Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic
 rocks (Mt. Vulture, Italy) and volcanological implications Locality: Masseria
 Saraceno pyroclastic flow, Vulture-San Michele Subsynthem, Mt. Vulture, Italy
 Sample: VUT191_11
;
_journal_name_full               'American Mineralogist'
_journal_page_first              426
_journal_page_last               437
_journal_paper_doi               10.2138/am.2008.2587
_journal_volume                  93
_journal_year                    2008
_chemical_formula_sum            'Fe1.019 H1.329 K Mg1.981 O12 Si3.973'
_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                 100.1033
_cell_angle_gamma                90
_cell_length_a                   5.3367
_cell_length_b                   9.2431
_cell_length_c                   10.1806
_cell_formula_units_Z            2
_cell_volume                     494.398
_exptl_crystal_density_diffrn    3.017
_cod_original_formula_sum        'K (Mg1.981 Fe1.019) Si3.973 O12 H1.329'
_cod_database_code               9010396
loop_
_symmetry_equiv_pos_as_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 1.00000 0.02980
Mg2+M1 0.00000 0.50000 0.50000 0.68970 0.01280
Fe2+M1 0.00000 0.50000 0.50000 0.31050 0.01280
Mg2+M2 0.00000 0.83933 0.50000 0.64580 0.01410
Fe2+M2 0.00000 0.83933 0.50000 0.35420 0.01410
Si4+T 0.57436 0.16733 0.22395 0.54010 0.01230
SiT 0.57436 0.16733 0.22395 0.45320 0.01230
O1 0.82770 0.22690 0.16620 1.00000 0.02100
O2 0.50870 0.00000 0.16730 1.00000 0.02020
O3 0.63080 0.16830 0.39150 1.00000 0.01430
O4 0.13310 0.00000 0.40010 1.00000 0.01370
H 0.09200 0.00000 0.32100 0.66450 0.01370
