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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014289.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_9014289
loop_
_publ_author_name
'Podschus, E.'
'Hofmann, U.'
'Leschewski, K.'
_publ_section_title
;
 Roentgenographische Strukturuntersuchungen von Ultramarinblau und
 seinen Reaktionsprodukten
 _cod_database_code 1010316
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              305
_journal_page_last               333
_journal_volume                  228
_journal_year                    1936
_chemical_formula_sum            'Al3 Na4 O12.3 S1.248 Si3'
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.06
_cell_length_b                   9.06
_cell_length_c                   9.06
_cell_volume                     743.677
_database_code_amcsd             0017242
_exptl_crystal_density_diffrn    2.206
_[local]_cod_chemical_formula_sum_orig 'Na4 Al3 Si3 O12.3 S1.248'
_cod_original_cell_volume        743.678
_cod_database_code               9014289
_amcsd_formula_title             'Al6 H1.2 Na8 O24.6 S2.5 Si6'
loop_
_space_group_symop_operation_xyz
x,y,z
-z,x,-y
-y,z,-x
-x,y,-z
1/2+x,1/2-z,1/2-y
1/2+z,1/2-y,1/2-x
1/2+y,1/2-x,1/2-z
1/2+x,1/2+z,1/2+y
1/2+z,1/2+y,1/2+x
1/2+y,1/2+x,1/2+z
-z,-x,y
-y,-z,x
-x,-y,z
z,-x,-y
y,-z,-x
x,-y,-z
1/2-x,1/2+z,1/2-y
1/2-z,1/2+y,1/2-x
1/2-y,1/2+x,1/2-z
1/2-x,1/2-z,1/2+y
1/2-z,1/2-y,1/2+x
1/2-y,1/2-x,1/2+z
z,x,y
y,z,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1 0.21700 0.21700 0.21700 1.00000
Al1 0.50000 0.00000 0.25000 1.00000
Si1 0.00000 0.50000 0.25000 1.00000
O1 0.13600 0.47500 0.14700 1.00000
S1 0.11000 0.00000 0.00000 0.18300
S2 0.00000 0.00000 0.00000 0.15000
O2 0.00000 0.00000 0.00000 0.30000