#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/00/9000060.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_9000060
loop_
_publ_author_name
'Mathieson, A. M.'
'Walker, G. F.'
_publ_section_title
;
 Crystal structure of magnesium-vermiculite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              231
_journal_page_last               255
_journal_volume                  39
_journal_year                    1954
_chemical_formula_sum            'Al0.721 Fe0.24 H3 Mg1.338 O9 Si1.36'
_chemical_name_mineral           Vermiculite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97
_cell_angle_gamma                90
_cell_length_a                   5.33
_cell_length_b                   9.18
_cell_length_c                   28.90
_cell_volume                     1403.519
_exptl_crystal_density_diffrn    1.186
_[local]_cod_chemical_formula_sum_orig 'Mg1.338 Fe.24 Al.721 Si1.36 O9 H3'
_cod_original_cell_volume        1403.520
_cod_database_code               9000060
_amcsd_database_code             AMCSD#0000062
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+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 0.39300
Fe1 0.00000 0.00000 0.00000 0.08000
Al1 0.00000 0.00000 0.00000 0.02700
Mg2 0.00000 0.33300 0.00000 0.39300
Fe2 0.00000 0.33300 0.00000 0.08000
Al2 0.00000 0.33300 0.00000 0.02700
Mg3 0.00000 0.66700 0.00000 0.39300
Fe3 0.00000 0.66700 0.00000 0.08000
Al3 0.00000 0.66700 0.00000 0.02700
Si1 0.39700 0.00000 0.09600 0.68000
Al4 0.39700 0.00000 0.09600 0.32000
Si2 0.39700 0.33300 0.09700 0.68000
Al5 0.39700 0.33300 0.09700 0.32000
Mg4 0.50000 0.00000 0.25000 0.05300
Mg5 0.50000 0.33300 0.25000 0.05300
Mg6 0.50000 0.66700 0.25000 0.05300
O1 0.35800 0.00000 0.03700 1.00000
O2 0.35800 0.33300 0.03700 1.00000
O3 0.35800 0.66700 0.03700 1.00000
O4 0.14700 0.40400 0.11400 1.00000
O5 0.14700 0.92900 0.11400 1.00000
O6 0.43400 0.16700 0.11400 1.00000
O-H7 0.16000 -0.01900 0.21300 1.00000
O-H8 0.16000 0.35200 0.21300 1.00000
O-H9 0.10500 0.66700 0.21300 1.00000