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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000151.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_9000151
loop_
_publ_author_name
'Eggleton, R. A.'
'Bailey, S. W.'
_publ_section_title
;
 Structural aspects of dioctahedral chlorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              673
_journal_page_last               689
_journal_volume                  52
_journal_year                    1967
_chemical_formula_sum            'Al3.37 H8 Mg2.31 O18 Si3.32'
_chemical_name_mineral           Sudoite
_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                 97.03
_cell_angle_gamma                90
_cell_length_a                   5.237
_cell_length_b                   9.070
_cell_length_c                   14.285
_cell_volume                     673.431
_exptl_crystal_density_diffrn    2.645
_[local]_cod_chemical_formula_sum_orig 'Si3.32 Al3.37 Mg2.31 O18 H8'
_cod_database_code               9000151
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
Si 0.23120 0.16670 0.19090 0.83000
Al 0.23120 0.16670 0.19090 0.17000
Al2 0.00000 0.33330 0.00000 1.00000
Mg3 0.00000 0.16670 0.50000 0.77000
Al3 0.00000 0.16670 0.50000 0.23000
Mg4 0.00000 0.50000 0.50000 0.77000
Al4 0.00000 0.50000 0.50000 0.23000
O1 0.19000 0.16670 0.07200 1.00000
O2 0.19430 0.00000 0.23680 1.00000
O3 0.50660 0.23350 0.23320 1.00000
O-H1 0.19000 0.50000 0.07200 1.00000
O-H2 0.14210 0.00000 0.42430 1.00000
O-H3 0.14210 0.33330 0.42430 1.00000