#------------------------------------------------------------------------------
#$Date: 2023-05-23 10:35:25 +0200 (Tue 23 de May de 2023) $
#$Revision: 283960 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/01/9010180.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_9010180
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
'Al1.34 Fe1.35 K0.92 Mg1.11 Na0.07 O12 Si2.72 Ti0.18'
_chemical_name_mineral           Annite
_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                 99.954
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3213
_cell_length_b                   9.2034
_cell_length_c                   10.1048
_cell_volume                     487.424
_database_code_amcsd             0004301
_exptl_crystal_density_diffrn    3.087
_cod_original_formula_sum
'K.92 Na.07 Mg1.11 Fe1.35 Ti.18 Al1.34 Si2.72 O12'
_cod_database_code               9010180
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 0.92000 0.02900 K 0
NaA 0.00000 0.50000 0.00000 0.07000 0.02900 Na 0
MgM1 0.00000 0.00000 0.50000 0.37000 0.01000 Mg 0
Fe3+M1 0.00000 0.00000 0.50000 0.23000 0.01000 Fe 0
Fe2+M1 0.00000 0.00000 0.50000 0.22000 0.01000 Fe 0
TiM1 0.00000 0.00000 0.50000 0.06000 0.01000 Ti 0
AlM1 0.00000 0.00000 0.50000 0.02000 0.01000 Al 0
MgM2 0.00000 0.34470 0.50000 0.37000 0.01300 Mg 0
Fe3+M2 0.00000 0.34470 0.50000 0.23000 0.01300 Fe 0
Fe2+M2 0.00000 0.34470 0.50000 0.22000 0.01300 Fe 0
TiM2 0.00000 0.34470 0.50000 0.06000 0.01300 Ti 0
AlM2 0.00000 0.34470 0.50000 0.02000 0.01300 Al 0
AlT 0.07230 0.16740 0.22190 0.32000 0.01100 Al 0
SiT 0.07230 0.16740 0.22190 0.68000 0.01100 Si 0
O1 0.32280 0.23090 0.16430 1.00000 0.02200 O 0
O2 0.01530 0.00000 0.16730 1.00000 0.02300 O 0
O3 0.12930 0.17020 0.39100 1.00000 0.01500 O 0
O4 0.13810 0.50000 0.40260 1.00000 0.01600 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
;
2023-05-23T09:21:18+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 0004301
