#------------------------------------------------------------------------------
#$Date: 2024-08-03 13:19:43 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/51/9005155.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_9005155
loop_
_publ_author_name
'Brigatti, M. F.'
'Poppi, L.'
_publ_section_title
;
 Crystal chemistry of Ba-rich trioctahedral micas-1M
 Sample: 25
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              857
_journal_page_last               871
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum
;Al1.655 Ba0.115 F0.258 Fe0.999 H1.218 K0.885 Mg1.58 Mn0.007 O11.742 Si2.587
 Ti0.171
;
_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                 100.10
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.333
_cell_length_b                   9.241
_cell_length_c                   10.180
_cell_volume                     493.919
_database_code_amcsd             0006501
_exptl_crystal_density_diffrn    3.123
_cod_original_formula_sum
;O11.742 F.258 (K.885 Ba.115) Al1.655 Fe.999 Mg1.58 Mn.007 Ti.171 Si2.587
 H1.218
;
_cod_database_code               9005155
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 0.01190 0.00000 0.16730 1.00000 0.02672
O2 0.32720 0.22820 0.16660 1.00000 0.02685
O3 0.13080 0.16750 0.39100 1.00000 0.01849
O-H4 0.13170 0.50000 0.39840 0.60880 0.01811
F4 0.13170 0.50000 0.39840 0.12900 0.01811
O4 0.13170 0.50000 0.39840 0.26220 0.01811
K 0.00000 0.50000 0.00000 0.88460 0.03445
Ba 0.00000 0.50000 0.00000 0.11540 0.03445
AlM2 0.00000 0.33560 0.50000 0.08080 0.01900
FeM2 0.00000 0.33560 0.50000 0.33300 0.01900
MgM2 0.00000 0.33560 0.50000 0.52680 0.01900
MnM2 0.00000 0.33560 0.50000 0.00230 0.01900
TiM2 0.00000 0.33560 0.50000 0.05700 0.01900
AlM1 0.00000 0.00000 0.50000 0.08080 0.01558
FeM1 0.00000 0.00000 0.50000 0.33300 0.01558
MgM1 0.00000 0.00000 0.50000 0.52680 0.01558
MnM1 0.00000 0.00000 0.50000 0.00230 0.01558
TiM1 0.00000 0.00000 0.50000 0.05700 0.01558
SiT 0.07480 0.16690 0.22460 0.64680 0.01507
AlT 0.07480 0.16690 0.22460 0.35320 0.01507
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
;
2024-08-02T12:20:54+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 0006501
