#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/24/9002421.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_9002421
loop_
_publ_author_name
'Brigatti, M. F.'
'Lugli, C.'
'Poppi, L.'
'Foord, E. E.'
'Kile, D. E.'
_publ_section_title
;
 Crystal chemical variations in Li- and Fe-rich micas from
 Pikes Peak batholith (central Colorado)
 sample: 140(2)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1275
_journal_page_last               1286
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
;Al1.743 F1.64 Fe0.879 H0.248 K0.954 Li0.849 Mg0.047 Mn0.06 Na0.014 O10.36
 Si3.236
;
_chemical_name_mineral           Siderophyllite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.81
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.297
_cell_length_b                   9.146
_cell_length_c                   10.102
_cell_volume                     480.720
_database_code_amcsd             0002506
_exptl_crystal_density_diffrn    2.985
_cod_original_formula_sum
'Si3.236 Al1.743 Li.849 Fe.879 Mg.047 Mn.06 Na.014 K.954 O10.36 F1.64 H.248'
_cod_database_code               9002421
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_type_symbol
_atom_site_attached_hydrogens
SiT1 0.07481 0.16864 0.22783 0.80900 Si 0
AlT1 0.07481 0.16864 0.22783 0.19100 Al 0
SiT11 0.58434 0.33204 0.22770 0.80900 Si 0
AlT11 0.58434 0.33204 0.22770 0.19100 Al 0
LiM1 0.00000 0.99230 0.50000 0.33200 Li 0
FeM1 0.00000 0.99230 0.50000 0.48200 Fe 0
LiM2 0.00000 0.32300 0.50000 0.02100 Li 0
AlM2 0.00000 0.32300 0.50000 0.97900 Al 0
LiM3 0.50000 0.16112 0.50000 0.49600 Li 0
MgM3 0.50000 0.16112 0.50000 0.04700 Mg 0
FeM3 0.50000 0.16112 0.50000 0.39700 Fe 0
MnM3 0.50000 0.16112 0.50000 0.06000 Mn 0
NaA 0.00000 0.50150 0.00000 0.01400 Na 0
KA 0.00000 0.50150 0.00000 0.95400 K 0
O1 0.03630 0.99960 0.17160 1.00000 O 0
O2 0.32060 0.23860 0.17200 1.00000 O 0
O22 0.81530 0.26020 0.15920 1.00000 O 0
O3 0.11600 0.17450 0.39350 1.00000 O 0
O33 0.66200 0.32660 0.39250 1.00000 O 0
F4 0.11000 0.47290 0.39830 0.82000 F 0
O4 0.11000 0.47290 0.39830 0.05600 O 0
O-H4 0.11000 0.47290 0.39830 0.12400 O 1
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
;
2023-05-18T11:37:17+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
2
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_aniso_labels 10200 2024-08-01 14:09:44Z saulius
;
2024-08-02T12:20:20+03:00
;Changed the following '_atom_site_aniso_label' values:
'OH4' -> 'O-H4'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002506
