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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000842.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_9000842
loop_
_publ_author_name
'Ohta, T.'
'Takeda, H.'
'Takeuchi, Y.'
_publ_section_title
;
 Mica polytypism: Similarities in the crystal structures of coexisting 1M and
 2M(1) oxybiotite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              298
_journal_page_last               310
_journal_volume                  67
_journal_year                    1982
_chemical_formula_sum
'Al1.322 Fe0.864 K Mg1.638 O12 Si2.84 Ti0.336'
_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                 100.102
_cell_angle_gamma                90
_cell_length_a                   5.3204
_cell_length_b                   9.210
_cell_length_c                   10.104
_cell_formula_units_Z            2
_cell_volume                     487.429
_database_code_amcsd             0000861
_exptl_crystal_density_diffrn    3.071
_cod_original_formula_sum        'Mg1.638 Fe.864 Al1.322 Ti.336 Si2.84 K O12'
_cod_database_code               9000842
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
Mg1 0.00000 0.00000 0.50000 0.62400
Fe1 0.00000 0.00000 0.50000 0.19000
Al1 0.00000 0.00000 0.50000 0.18600
Mg2 0.00000 0.34538 0.50000 0.50700
Fe2 0.00000 0.34538 0.50000 0.28900
Ti2 0.00000 0.34538 0.50000 0.16800
Al2 0.00000 0.34538 0.50000 0.03600
Si 0.07300 0.16733 0.22283 0.71000
Al 0.07300 0.16733 0.22283 0.26600
Fe 0.07300 0.16733 0.22283 0.02400
K 0.00000 0.50000 0.00000 1.00000
O1 0.01770 0.00000 0.16660 1.00000
O2 0.32170 0.23150 0.16450 1.00000
O3 0.12980 0.16970 0.39050 1.00000
O4 0.13350 0.50000 0.40060 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000861
