#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001353.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_9001353
loop_
_publ_author_name
'Brigatti, M. F.'
'Galli, E.'
'Poppi, L.'
_publ_section_title
;
 Effect of Ti substitution in biotite-M crystal chemistry
 Sample 17 from a quartz diorite, Capo Vaticano, Italy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1174
_journal_page_last               1183
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum
;Al1.428 Ca0.001 Cr0.006 Fe1.296 K0.914 Mg1.245 Mn0.009 Na0.022 O12 Si2.764
 Ti0.198
;
_chemical_name_mineral           Biotite
_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                 100.14
_cell_angle_gamma                90
_cell_length_a                   5.323
_cell_length_b                   9.215
_cell_length_c                   10.210
_cell_formula_units_Z            2
_cell_volume                     492.993
_database_code_amcsd             0001387
_exptl_crystal_density_diffrn    3.081
_cod_original_formula_sum
'Si2.764 Al1.428 K.914 Ca.001 Na.022 Mg1.245 Cr.006 Fe1.296 Mn.009 Ti.198 O12'
_cod_database_code               9001353
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
Si 0.07590 0.16640 0.22680 0.69100
Al 0.07590 0.16640 0.22680 0.30900
K 0.00000 0.50000 0.00000 0.91400
Ca 0.00000 0.50000 0.00000 0.00100
Na 0.00000 0.50000 0.00000 0.02200
Mg1 0.00000 0.00000 0.50000 0.41500
Al1 0.00000 0.00000 0.50000 0.06400
Cr1 0.00000 0.00000 0.50000 0.00200
Fe1 0.00000 0.00000 0.50000 0.43200
Mn1 0.00000 0.00000 0.50000 0.00300
Ti1 0.00000 0.00000 0.50000 0.06600
Mg2 0.00000 0.33270 0.50000 0.41500
Al2 0.00000 0.33270 0.50000 0.06400
Cr2 0.00000 0.33270 0.50000 0.00200
Fe2 0.00000 0.33270 0.50000 0.43200
Mn2 0.00000 0.33270 0.50000 0.00300
Ti2 0.00000 0.33270 0.50000 0.06600
O1 0.01450 0.00000 0.17120 1.00000
O2 0.32490 0.22980 0.16970 1.00000
O3 0.13020 0.16710 0.39040 1.00000
O4 0.12930 0.50000 0.39540 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001387
