#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/01/9010181.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_9010181
loop_
_publ_author_name
'Laurora, A.'
'Brigatti, M. F.'
'Mottana, A.'
'Malferrari, D.'
'Caprilli, E.'
_publ_section_title
;Crystal chemistry of trioctahedral micas in alkaline and subalkaline volcanic
 rocks: A case study from Mt. Sassetto (Tolfa district, Latium, central Italy)
 polytype
;
_journal_name_full               'American Mineralogist'
_journal_page_first              468
_journal_page_last               480
_journal_paper_doi               10.2138/am.2007.2339
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Mt. Sassetto, Tolfa district, Latium, Italy'
_chemical_formula_sum
'Al1.12 Fe1.11 K0.93 Mg1.5 Na0.07 O12 Si2.88 Ti0.39'
_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                 100.219
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3420
_cell_length_b                   9.2461
_cell_length_c                   10.1635
_cell_volume                     494.039
_database_code_amcsd             0004302
_exptl_crystal_density_diffrn    3.080
_cod_original_formula_sum
'(K.93 Na.07) (Mg1.5 Fe1.11 Ti.39) (Al1.12 Si2.88) O12'
_cod_database_code               9010181
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
_atom_site_type_symbol
_atom_site_attached_hydrogens
KA 0.00000 0.50000 0.00000 0.93000 0.03300 K 0
NaA 0.00000 0.50000 0.00000 0.07000 0.03300 Na 0
MgM1 0.00000 0.00000 0.50000 0.50000 0.01200 Mg 0
Fe2+M1 0.00000 0.00000 0.50000 0.37000 0.01200 Fe 0
TiM1 0.00000 0.00000 0.50000 0.13000 0.01200 Ti 0
MgM2 0.00000 0.33930 0.50000 0.50000 0.01300 Mg 0
Fe2+M2 0.00000 0.33930 0.50000 0.37000 0.01300 Fe 0
TiM2 0.00000 0.33930 0.50000 0.13000 0.01300 Ti 0
AlT 0.07430 0.16720 0.22390 0.28000 0.01000 Al 0
SiT 0.07430 0.16720 0.22390 0.72000 0.01000 Si 0
O1 0.31940 0.23510 0.16580 1.00000 0.01900 O 0
O2 0.02540 0.00000 0.16770 1.00000 0.02000 O 0
O3 0.13100 0.16910 0.39050 1.00000 0.01200 O 0
O4 0.13050 0.50000 0.39920 1.00000 0.01200 O 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9581 2023-05-17 12:35:41Z saulius
;
2023-05-23T09:21:10+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004302
