#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/51/9005151.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_9005151
loop_
_publ_author_name
'Brigatti, M. F.'
'Poppi, L.'
_publ_section_title
;
 Crystal chemistry of Ba-rich trioctahedral micas-1M
 Sample: 21
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              857
_journal_page_last               871
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
;Al1.457 Ba0.032 F0.165 Fe0.695 H1.265 K0.919 Mg1.997 Mn0.004 Na0.049 O11.835
 Si2.68 Ti0.166
;
_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                 100.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.326
_cell_length_b                   9.222
_cell_length_c                   10.223
_cell_volume                     494.427
_database_code_amcsd             0006497
_exptl_crystal_density_diffrn    2.991
_cod_original_formula_sum
;O11.835 F.165 (K.919 Na.049 Ba.032) Al1.457 Fe.695 Mg1.997 Mn.004 Ti.166
 Si2.68 H1.265
;
_cod_database_code               9005151
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 0.00900 0.00000 0.16990 1.00000 0.02812
O2 0.33000 0.22640 0.16910 1.00000 0.02774
O3 0.13040 0.16750 0.39130 1.00000 0.02014
O-H4 0.13260 0.50000 0.39920 0.63250 0.01988
F4 0.13260 0.50000 0.39920 0.08230 0.01988
O4 0.13260 0.50000 0.39920 0.28520 0.01988
K 0.00000 0.50000 0.00000 0.91900 0.03762
Na 0.00000 0.50000 0.00000 0.04900 0.03762
Ba 0.00000 0.50000 0.00000 0.03200 0.03762
AlM2 0.00000 0.33540 0.50000 0.04580 0.02064
FeM2 0.00000 0.33540 0.50000 0.23180 0.02064
MgM2 0.00000 0.33540 0.50000 0.66550 0.02064
MnM2 0.00000 0.33540 0.50000 0.00150 0.02064
TiM2 0.00000 0.33540 0.50000 0.05530 0.02064
AlM1 0.00000 0.00000 0.50000 0.04580 0.01887
FeM1 0.00000 0.00000 0.50000 0.23180 0.01887
MgM1 0.00000 0.00000 0.50000 0.66550 0.01887
MnM1 0.00000 0.00000 0.50000 0.00150 0.01887
TiM1 0.00000 0.00000 0.50000 0.05530 0.01887
SiT 0.07520 0.16680 0.22620 0.67010 0.01722
AlT 0.07520 0.16680 0.22620 0.32990 0.01722
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 0006497
