#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001351.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_9001351
loop_
_publ_author_name
'Brigatti, M. F.'
'Galli, E.'
'Poppi, L.'
_publ_section_title
;Effect of Ti substitution in biotite-M crystal chemistry Sample 15 from a
 alkaline gabbro-peralkaline syenite rock, Mt St Hilaire, Quebec
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1174
_journal_page_last               1183
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum
;Al1.27 Ca0.007 Cr0.006 Fe0.942 K0.915 Mg1.476 Mn0.024 Na0.015 O12 Si2.736
 Ti0.39
;
_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                 100.20
_cell_angle_gamma                90
_cell_length_a                   5.329
_cell_length_b                   9.235
_cell_length_c                   10.190
_cell_formula_units_Z            2
_cell_volume                     493.558
_database_code_amcsd             0001385
_exptl_crystal_density_diffrn    3.016
_cod_original_formula_sum
'Si2.736 Al1.27 K.915 Ca.007 Na.015 Mg1.476 Cr.006 Fe.942 Mn.024 Ti.39 O12'
_cod_database_code               9001351
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 0.07420 0.16710 0.22500 0.68400
Al 0.07420 0.16710 0.22500 0.31600
K 0.00000 0.50000 0.00000 0.91500
Ca 0.00000 0.50000 0.00000 0.00700
Na 0.00000 0.50000 0.00000 0.01500
Mg1 0.00000 0.00000 0.50000 0.49200
Al1 0.00000 0.00000 0.50000 0.00200
Cr1 0.00000 0.00000 0.50000 0.00200
Fe1 0.00000 0.00000 0.50000 0.31400
Mn1 0.00000 0.00000 0.50000 0.00800
Ti1 0.00000 0.00000 0.50000 0.13000
Mg2 0.00000 0.33680 0.50000 0.49200
Al2 0.00000 0.33680 0.50000 0.00200
Cr2 0.00000 0.33680 0.50000 0.00200
Fe2 0.00000 0.33680 0.50000 0.31400
Mn2 0.00000 0.33680 0.50000 0.00800
Ti2 0.00000 0.33680 0.50000 0.13000
O1 0.01740 0.00000 0.16910 1.00000
O2 0.32430 0.23110 0.16780 1.00000
O3 0.13070 0.16830 0.39100 1.00000
O4 0.12930 0.50000 0.39640 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001385
