#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/69/9016904.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_9016904
loop_
_publ_author_name
'Scordari, F.'
'Schingaro, E.'
'Lacalamita, M.'
'Mesto, E.'
_publ_section_title
;
 Crystal chemistry of trioctahedral micas-2M_1 from
 Bunyaruguru kamafugite (southwest Uganda)
 Note: BU3_10
;
_journal_name_full               'American Mineralogist'
_journal_page_first              430
_journal_page_last               439
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'southwest Uganda'
_chemical_formula_sum
'Al1.09 Ba0.01 F0.02 Fe0.58 H K0.94 Mg2 Na0.04 O11.98 Si2.93 Ti0.4'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.131
_cell_angle_gamma                90
_cell_length_a                   5.3283
_cell_length_b                   9.2304
_cell_length_c                   20.1565
_cell_formula_units_Z            4
_cell_volume                     987.371
_database_code_amcsd             0020823
_exptl_crystal_density_diffrn    2.987
_cod_data_source_file            inputs/fixed/downloads/05/05256.cif
_cod_data_source_block           05256
_cod_original_formula_sum
'K.94 Na.04 Ba.01 Mg2 Fe.58 Ti.4 Al1.09 Si2.93 O11.98 H F.02'
_cod_database_code               9016904
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
K 0.00000 0.08390 0.25000 0.94000
Na 0.00000 0.08390 0.25000 0.04000
Ba 0.00000 0.08390 0.25000 0.01000
Mg1 0.75000 0.25000 0.00000 0.73000
Fe1 0.75000 0.25000 0.00000 0.27000
Mg2 0.24076 0.08028 0.00002 0.63500
Fe2 0.24076 0.08028 0.00002 0.11000
Ti2 0.24076 0.08028 0.00002 0.20000
Al2 0.24076 0.08028 0.00002 0.05500
Si1 0.46161 0.24994 0.13728 1.00000
Si2 0.96357 0.41703 0.13721 0.46500
Al3 0.96357 0.41703 0.13721 0.49000
Fe3 0.96357 0.41703 0.13721 0.04500
O11 0.74010 0.31630 0.16547 1.00000
O21 0.23870 0.35040 0.16637 1.00000
O22 0.43810 0.08340 0.16630 1.00000
O31 0.43170 0.25720 0.05446 1.00000
O32 0.93700 0.42530 0.05450 1.00000
O4 0.93490 0.09040 0.05094 0.99000
H 0.94700 0.00990 0.09050 0.50000
F 0.94700 0.00990 0.09050 0.01000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020823
