#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/51/9005149.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_9005149
loop_
_publ_author_name
'Brigatti, M. F.'
'Poppi, L.'
_publ_section_title
;
 Crystal chemistry of Ba-rich trioctahedral micas-1M
 Sample: 19
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              857
_journal_page_last               871
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
;Al1.269 Ba0.026 Ca0.004 F0.233 Fe0.989 H0.843 K0.896 Mg1.611 Mn0.01 Na0.074
 O11.767 Si2.748 Ti0.371
;
_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                 100.19
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.331
_cell_length_b                   9.230
_cell_length_c                   10.160
_cell_volume                     492.039
_database_code_amcsd             0006495
_exptl_crystal_density_diffrn    3.093
_cod_original_formula_sum
;O11.767 F.233 K.896 Na.074 Ca.004 Ba.026 Al1.269 Fe.989 Mg1.611 Mn.01 Ti.371
 Si2.748 H.843
;
_cod_database_code               9005149
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 0.01650 0.00000 0.16820 1.00000 0.03040
O2 0.32380 0.23050 0.16740 1.00000 0.03065
O3 0.13160 0.16790 0.39120 1.00000 0.02191
O-H4 0.12980 0.50000 0.39880 0.42130 0.02204
F4 0.12980 0.50000 0.39880 0.11630 0.02204
O4 0.12980 0.50000 0.39880 0.46240 0.02204
K 0.00000 0.50000 0.00000 0.89650 0.04420
Na 0.00000 0.50000 0.00000 0.07400 0.04420
Ca 0.00000 0.50000 0.00000 0.00350 0.04420
Ba 0.00000 0.50000 0.00000 0.02650 0.04420
AlM2 0.00000 0.33770 0.50000 0.00570 0.02419
FeM2 0.00000 0.33770 0.50000 0.32970 0.02419
MgM2 0.00000 0.33770 0.50000 0.53700 0.02419
MnM2 0.00000 0.33770 0.50000 0.00320 0.02419
TiM2 0.00000 0.33770 0.50000 0.12370 0.02419
AlM1 0.00000 0.00000 0.50000 0.00570 0.02153
FeM1 0.00000 0.00000 0.50000 0.32970 0.02153
MgM1 0.00000 0.00000 0.50000 0.53700 0.02153
MnM1 0.00000 0.00000 0.50000 0.00320 0.02153
TiM1 0.00000 0.00000 0.50000 0.12370 0.02153
SiT 0.07440 0.16710 0.22410 0.68710 0.01900
AlT 0.07440 0.16710 0.22410 0.31290 0.01900
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 0006495
