#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011946.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_9011946
loop_
_publ_author_name
'Brauner, K.'
'Preisinger, A.'
_publ_section_title
;
 Struktur und entstehung des sepioliths
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              120
_journal_page_last               140
_journal_volume                  6
_journal_year                    1956
_chemical_formula_sum            'H14 Mg4 O23 Si6'
_chemical_name_mineral           Sepiolite
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2ab 2n'
_symmetry_space_group_name_H-M   'P n c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.4
_cell_length_b                   26.79999
_cell_length_c                   5.28
_cell_volume                     1896.153
_exptl_crystal_density_diffrn    2.269
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_11873'
_[local]_cod_chemical_formula_sum_orig 'Mg4 Si6 O23 H14'
_cod_database_code               9011946
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
x,-y,1/2+z
-x,y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1 0.00000 0.02800 0.25000
Mg2 0.00000 0.91600 0.25000
Mg3 0.00000 0.14000 0.25000
Mg4 0.00000 0.80400 0.25000
Si1 0.20800 0.02800 0.56250
Si2 0.20800 0.14000 0.56250
Si3 0.20800 0.19600 0.06250
O1 0.25000 0.25000 0.06250
O2 0.08400 0.02800 0.56250
O3 0.08400 0.14000 0.56250
O4 0.08400 0.19600 0.06250
O5 0.24000 0.00000 0.31250
O6 0.24000 0.08400 0.56250
O7 0.24000 0.16800 0.31250
O8 0.24000 0.16800 0.81250
O-H 0.08400 0.08400 0.06250
Wat1 0.08300 0.25000 0.50000
Wat2 0.08300 0.41600 0.91670
Wat3 0.00000 0.67200 0.25000
Wat4 0.00000 0.48500 0.25000