#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001582.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_9001582
loop_
_publ_author_name
'Bigi, S.'
'Brigatti, M. F.'
_publ_section_title
;
 Crystal chemistry and microstructures of plutonic biotite
 Sample 1M from Valle del Cervo syenitic complex
;
_journal_name_full               'American Mineralogist'
_journal_page_first              63
_journal_page_last               72
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum
'Al1.207 Fe0.4 K1.906 Mg0.512 Mn0.007 Na0.034 O12 Si2.808 Ti0.067'
_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                 100.08
_cell_angle_gamma                90
_cell_length_a                   5.335
_cell_length_b                   9.244
_cell_length_c                   10.206
_cell_volume                     495.557
_exptl_crystal_density_diffrn    2.795
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_1632'
_[local]_cod_chemical_formula_sum_orig
'Si2.808 Al1.207 Fe.4 Mg.512 Mn.007 Ti.067 Na.034 K1.906 O12'
_cod_original_cell_volume        495.558
_cod_database_code               9001582
loop_
_symmetry_equiv_pos_as_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
SiT 0.07520 0.16690 0.22580 0.70200
AlT 0.07520 0.16690 0.22580 0.29800
Al1 0.00000 0.00000 0.50000 0.01500
Fe1 0.00000 0.00000 0.50000 0.40000
Mg1 0.00000 0.00000 0.50000 0.51200
Mn1 0.00000 0.00000 0.50000 0.00700
Ti1 0.00000 0.00000 0.50000 0.06700
Na2 0.00000 0.33430 0.50000 0.01700
K2 0.00000 0.33430 0.50000 0.95300
O1 0.02470 0.00000 0.16880 1.00000
O2 0.32190 0.23360 0.16830 1.00000
O3 0.13340 0.16750 0.39050 1.00000
O4 0.13010 0.50000 0.39520 1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
SiT 0.02250 0.01645 0.02660 -0.00049 0.00562 0.00047
AlT 0.02250 0.01645 0.02660 -0.00049 0.00562 0.00047
Al1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000
Fe1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000
Mg1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000
Mn1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000
Ti1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000
Na2 0.02236 0.01905 0.03069 0.00000 0.00749 0.00000
K2 0.02236 0.01905 0.03069 0.00000 0.00749 0.00000
O1 0.04277 0.02035 0.03632 0.00000 0.00562 0.00000
O2 0.02963 0.03810 0.03376 -0.00541 0.00909 -0.00282
O3 0.02754 0.01905 0.03120 0.00000 0.00775 0.00188
O4 0.02768 0.02294 0.03274 0.00000 0.00722 0.00000