#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001349.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_9001349
loop_
_publ_author_name
'Brigatti, M. F.'
'Galli, E.'
'Poppi, L.'
_publ_section_title
;
 Effect of Ti substitution in biotite-M crystal chemistry
 Sample 11 from a lamproite rock, Jummilla, Spain
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1174
_journal_page_last               1183
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum
;Al1.282 Ca0.013 Cr0.072 Fe0.504 K0.955 Mg1.899 Mn0.027 Na0.03 O12 Si2.868
 Ti0.324
;
_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                 100.13
_cell_angle_gamma                90
_cell_length_a                   5.315
_cell_length_b                   9.204
_cell_length_c                   10.168
_cell_formula_units_Z            2
_cell_volume                     489.657
_database_code_amcsd             0001383
_exptl_crystal_density_diffrn    2.989
_cod_original_formula_sum
'Si2.868 Al1.282 K.955 Ca.013 Na.03 Mg1.899 Cr.072 Fe.504 Mn.027 Ti.324 O12'
_cod_database_code               9001349
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 0.07490 0.16690 0.22550 0.71700
Al 0.07490 0.16690 0.22550 0.28300
K 0.00000 0.50000 0.00000 0.95500
Ca 0.00000 0.50000 0.00000 0.01300
Na 0.00000 0.50000 0.00000 0.03000
Mg1 0.00000 0.00000 0.50000 0.63300
Al1 0.00000 0.00000 0.50000 0.05000
Cr1 0.00000 0.00000 0.50000 0.02400
Fe1 0.00000 0.00000 0.50000 0.16800
Mn1 0.00000 0.00000 0.50000 0.00900
Ti1 0.00000 0.00000 0.50000 0.10800
Mg2 0.00000 0.33640 0.50000 0.63300
Al2 0.00000 0.33640 0.50000 0.05000
Cr2 0.00000 0.33640 0.50000 0.02400
Fe2 0.00000 0.33640 0.50000 0.16800
Mn2 0.00000 0.33640 0.50000 0.00900
Ti2 0.00000 0.33640 0.50000 0.10800
O1 0.02120 0.00000 0.16830 1.00000
O2 0.32300 0.23270 0.16740 1.00000
O3 0.13100 0.16760 0.39110 1.00000
O4 0.13120 0.50000 0.39980 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001383
