#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001346.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_9001346
loop_
_publ_author_name
'Brigatti, M. F.'
'Galli, E.'
'Poppi, L.'
_publ_section_title
;
 Effect of Ti substitution in biotite-M crystal chemistry
 Sample 8 from a lamproite rock, Puebla De Mula, Spain
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1174
_journal_page_last               1183
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum
;Al1.369 Ca0.03 Cr0.048 Fe0.39 K0.955 Mg2.166 Mn0.021 Na0.015 O12 Si2.856
 Ti0.144
;
_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                 99.98
_cell_angle_gamma                90
_cell_length_a                   5.317
_cell_length_b                   9.207
_cell_length_c                   10.232
_cell_formula_units_Z            2
_cell_volume                     493.314
_database_code_amcsd             0001380
_exptl_crystal_density_diffrn    2.915
_cod_original_formula_sum
'Si2.856 Al1.369 (K.955 Ca.03 Na.015) Mg2.166 Cr.048 Fe.39 Mn.021 Ti.144 O12'
_cod_database_code               9001346
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 0.07560 0.16680 0.22690 0.71400
Al 0.07560 0.16680 0.22690 0.28600
K 0.00000 0.50000 0.00000 0.95500
Ca 0.00000 0.50000 0.00000 0.03000
Na 0.00000 0.50000 0.00000 0.01500
Mg1 0.00000 0.00000 0.50000 0.72200
Al1 0.00000 0.00000 0.50000 0.07500
Cr1 0.00000 0.00000 0.50000 0.01600
Fe1 0.00000 0.00000 0.50000 0.13000
Mn1 0.00000 0.00000 0.50000 0.00700
Ti1 0.00000 0.00000 0.50000 0.04800
Mg2 0.00000 0.33470 0.50000 0.72200
Al2 0.00000 0.33470 0.50000 0.07500
Cr2 0.00000 0.33470 0.50000 0.01600
Fe2 0.00000 0.33470 0.50000 0.13000
Mn2 0.00000 0.33470 0.50000 0.00700
Ti2 0.00000 0.33470 0.50000 0.04800
O1 0.01710 0.00000 0.16970 1.00000
O2 0.32560 0.23110 0.16920 1.00000
O3 0.13130 0.16730 0.39140 1.00000
O4 0.13110 0.50000 0.39790 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001380
