#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001348.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_9001348
loop_
_publ_author_name
'Brigatti, M. F.'
'Galli, E.'
'Poppi, L.'
_publ_section_title
;
 Effect of Ti substitution in biotite-M crystal chemistry
 Sample 10 from a lamproite rock, Fortuna, Spain
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1174
_journal_page_last               1183
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum
;Al1.161 Ca0.004 Cr0.054 Fe0.588 K0.958 Mg1.602 Mn0.03 Na0.016 O12 Si2.932
 Ti0.522
;
_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                 100.25
_cell_angle_gamma                90
_cell_length_a                   5.322
_cell_length_b                   9.228
_cell_length_c                   10.102
_cell_formula_units_Z            2
_cell_volume                     488.206
_database_code_amcsd             0001382
_exptl_crystal_density_diffrn    3.026
_cod_original_formula_sum
'Si2.932 Al1.161 K.958 Ca.004 Na.016 Mg1.602 Cr.054 Fe.588 Mn.03 Ti.522 O12'
_cod_database_code               9001348
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 0.07430 0.16700 0.22320 0.73300
Al 0.07430 0.16700 0.22320 0.26700
K 0.00000 0.50000 0.00000 0.95800
Ca 0.00000 0.50000 0.00000 0.00400
Na 0.00000 0.50000 0.00000 0.01600
Mg1 0.00000 0.00000 0.50000 0.53400
Al1 0.00000 0.00000 0.50000 0.03100
Cr1 0.00000 0.00000 0.50000 0.01800
Fe1 0.00000 0.00000 0.50000 0.19600
Mn1 0.00000 0.00000 0.50000 0.01000
Ti1 0.00000 0.00000 0.50000 0.17400
Mg2 0.00000 0.33530 0.50000 0.53400
Al2 0.00000 0.33530 0.50000 0.03100
Cr2 0.00000 0.33530 0.50000 0.01800
Fe2 0.00000 0.33530 0.50000 0.19600
Mn2 0.00000 0.33530 0.50000 0.01000
Ti2 0.00000 0.33530 0.50000 0.17400
O1 0.02910 0.00000 0.16730 1.00000
O2 0.31870 0.23680 0.16630 1.00000
O3 0.13210 0.16870 0.39070 1.00000
O4 0.13080 0.50000 0.40070 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001382
