#------------------------------------------------------------------------------
#$Date: 2023-05-23 10:35:25 +0200 (Tue 23 de May de 2023) $
#$Revision: 283960 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/01/9010185.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_9010185
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)
 2M_1 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
'Al1.27 Fe1.08 K0.93 Mg1.44 Na0.06 O12 Si2.88 Ti0.33'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.143
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3449
_cell_length_b                   9.2375
_cell_length_c                   20.095
_cell_volume                     988.166
_database_code_amcsd             0004306
_exptl_crystal_density_diffrn    3.065
_cod_original_formula_sum
'K.93 Na.06 Mg1.44 Fe1.08 Ti.33 Al1.27 Si2.88 O12'
_cod_database_code               9010185
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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 0.08430 0.25000 0.93000 0.03300 K 0
NaA 0.00000 0.08430 0.25000 0.06000 0.03300 Na 0
MgM1 0.75000 0.25000 0.00000 0.48000 0.01200 Mg 0
Fe2+M1 0.75000 0.25000 0.00000 0.36000 0.01200 Fe 0
TiM1 0.75000 0.25000 0.00000 0.11000 0.01200 Ti 0
AlM1 0.75000 0.25000 0.00000 0.05000 0.01200 Al 0
MgM2 0.24120 0.08030 0.00000 0.48000 0.01300 Mg 0
Fe2+M2 0.24120 0.08030 0.00000 0.36000 0.01300 Fe 0
TiM2 0.24120 0.08030 0.00000 0.11000 0.01300 Ti 0
AlM2 0.24120 0.08030 0.00000 0.05000 0.01300 Al 0
AlT1 0.46200 0.25020 0.13800 0.28000 0.00900 Al 0
SiT1 0.46200 0.25020 0.13800 0.72000 0.00900 Si 0
AlT2 0.96360 0.41740 0.13800 0.28000 0.01000 Al 0
SiT2 0.96360 0.41740 0.13800 0.72000 0.01000 Si 0
O11 0.73660 0.31940 0.16600 1.00000 0.01900 O 0
O21 0.23640 0.34790 0.16710 1.00000 0.01900 O 0
O22 0.44420 0.08370 0.16710 1.00000 0.01900 O 0
O31 0.43060 0.24980 0.05480 1.00000 0.01200 O 0
O32 0.93850 0.41890 0.05490 1.00000 0.01100 O 0
O41 0.93460 0.08230 0.05030 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
;
2023-05-23T09:21:16+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 0004306
