#------------------------------------------------------------------------------
#$Date: 2023-05-23 10:35:25 +0200 (Tue 23 de May de 2023) $
#$Revision: 283960 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/01/9010176.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_9010176
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
'Al1.32 Fe1.14 K0.94 Mg1.44 Na0.06 O12 Si2.8 Ti0.3'
_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                 100.132
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3403
_cell_length_b                   9.2485
_cell_length_c                   10.1867
_cell_volume                     495.273
_database_code_amcsd             0004297
_exptl_crystal_density_diffrn    3.067
_cod_original_formula_sum
'(K.94 Na.06) Mg1.44 Fe1.14 Ti.3 Al1.32 Si2.8 O12'
_cod_database_code               9010176
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 0.94000 0.03400 K 0
NaA 0.00000 0.50000 0.00000 0.06000 0.03400 Na 0
MgM1 0.00000 0.00000 0.50000 0.48000 0.01300 Mg 0
Fe2+M1 0.00000 0.00000 0.50000 0.38000 0.01300 Fe 0
TiM1 0.00000 0.00000 0.50000 0.10000 0.01300 Ti 0
AlM1 0.00000 0.00000 0.50000 0.04000 0.01300 Al 0
MgM2 0.00000 0.33770 0.50000 0.48000 0.01400 Mg 0
Fe2+M2 0.00000 0.33770 0.50000 0.38000 0.01400 Fe 0
TiM2 0.00000 0.33770 0.50000 0.10000 0.01400 Ti 0
AlM2 0.00000 0.33770 0.50000 0.04000 0.01400 Al 0
AlT 0.07460 0.16710 0.22440 0.30000 0.01100 Al 0
SiT 0.07460 0.16710 0.22440 0.70000 0.01100 Si 0
O1 0.32378 0.23130 0.16680 1.00000 0.02100 O 0
O2 0.01830 0.00000 0.16850 1.00000 0.02100 O 0
O3 0.13100 0.16850 0.39100 1.00000 0.01300 O 0
O4 0.13140 0.50000 0.39940 1.00000 0.01400 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
;
2023-05-23T09:21:17+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 0004297
