#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/51/9005152.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_9005152
loop_
_publ_author_name
'Brigatti, M. F.'
'Poppi, L.'
_publ_section_title
;
 Crystal chemistry of Ba-rich trioctahedral micas-1M
 Sample: 22
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              857
_journal_page_last               871
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
;Al0.748 Ba0.036 F0.307 Fe0.745 H0.556 K0.854 Mg1.7 Mn0.007 Na0.11 O11.693
 Si3.252 Ti0.487
;
_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                 100.35
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.330
_cell_length_b                   9.245
_cell_length_c                   10.192
_cell_volume                     494.048
_database_code_amcsd             0006498
_exptl_crystal_density_diffrn    3.041
_cod_original_formula_sum
;O11.693 F.307 (K.854 Na.11 Ba.036) Al.748 Fe.745 Mg1.7 Mn.007 Ti.487 Si3.252
 H.556
;
_cod_database_code               9005152
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
O1 0.03570 0.00000 0.16750 1.00000 0.04433
O2 0.31420 0.23760 0.16550 1.00000 0.04306
O3 0.13390 0.16870 0.39050 1.00000 0.02888
O-H4 0.13280 0.50000 0.39680 0.27780 0.02026
F4 0.13280 0.50000 0.39680 0.15330 0.02026
O4 0.13280 0.50000 0.39680 0.56890 0.02026
K 0.00000 0.50000 0.00000 0.85450 0.04800
Na 0.00000 0.50000 0.00000 0.11000 0.04800
Ba 0.00000 0.50000 0.00000 0.03550 0.04800
AlM2 0.00000 0.34080 0.50000 0.00020 0.02748
FeM2 0.00000 0.34080 0.50000 0.24820 0.02748
MgM2 0.00000 0.34080 0.50000 0.56670 0.02748
MnM2 0.00000 0.34080 0.50000 0.00220 0.02748
TiM2 0.00000 0.34080 0.50000 0.16220 0.02748
AlM1 0.00000 0.00000 0.50000 0.00020 0.02457
FeM1 0.00000 0.00000 0.50000 0.24820 0.02457
MgM1 0.00000 0.00000 0.50000 0.56670 0.02457
MnM1 0.00000 0.00000 0.50000 0.00220 0.02457
TiM1 0.00000 0.00000 0.50000 0.16220 0.02457
SiT 0.07310 0.16700 0.22310 0.81310 0.02178
AlT 0.07310 0.16700 0.22310 0.18690 0.02178
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_aniso_labels 10200 2024-08-01 14:09:44Z saulius
;
2024-08-02T12:20:53+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 0006498
