#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/02/9000208.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_9000208
loop_
_publ_author_name
'Kanamaru, F.'
'Vand, V.'
_publ_section_title
;
 The crystal structure of a clay-organic complex of 6-amino hexanoic acid and
 vermiculite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1550
_journal_page_last               1561
_journal_volume                  55
_journal_year                    1970
_chemical_formula_sum            'C12 H2 Al1.43 Fe0.48 Mg2.37 N2 O16 Si2.72'
_chemical_name_mineral           Vermiculite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.0
_cell_angle_gamma                90
_cell_length_a                   5.33
_cell_length_b                   9.18
_cell_length_c                   17.45
_cell_volume                     847.454
_exptl_crystal_density_diffrn    2.467
_[local]_cod_chemical_formula_sum_orig
'Mg2.37 Fe.48 Al1.43 Si2.72 O16 C12 N2 H2'
_cod_database_code               9000208
_amcsd_database_code             AMCSD#0000212
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 0.00000 0.00000 0.00000 0.79000
Fe1 0.00000 0.00000 0.00000 0.16000
Al1 0.00000 0.00000 0.00000 0.05000
Mg2 0.00000 0.33300 0.00000 0.79000
Fe2 0.00000 0.33300 0.00000 0.16000
Al2 0.00000 0.33300 0.00000 0.05000
Mg3 0.00000 0.66700 0.00000 0.79000
Fe3 0.00000 0.66700 0.00000 0.16000
Al3 0.00000 0.66700 0.00000 0.05000
Si1 0.39300 0.00000 0.16000 0.68000
Al1 0.39300 0.00000 0.16000 0.32000
Si2 0.39300 0.33300 0.16000 0.68000
Al2 0.39300 0.33300 0.16000 0.32000
O1 0.35200 0.00000 0.06100 1.00000
O2 0.35200 0.33300 0.06100 1.00000
O3 0.35200 0.66700 0.06100 1.00000
O4 0.13600 0.46400 0.18900 1.00000
O5 0.13600 0.92900 0.18900 1.00000
O6 0.41200 0.16700 0.21800 1.00000
O-H 0.71500 0.33200 0.33000 1.00000
O 0.46500 0.29800 0.43200 1.00000
C0 0.60000 0.36600 0.39200 1.00000
C1 0.48000 0.50500 0.42200 1.00000
C2 0.59500 0.63300 0.38300 1.00000
C3 0.47500 0.76300 0.41300 1.00000
C4 0.59000 0.90000 0.37500 1.00000
C5 0.47000 0.03800 0.40500 1.00000
N 0.58500 0.16700 0.36700 1.00000