#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009960.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_9009960
loop_
_publ_author_name
'Tripathi, A.'
'Parise, J. B.'
_publ_section_title
;
 Hydrothermal synthesis and structural characterization of the
 aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian
 Sample: Cs-AlGe-ANA
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              65
_journal_page_last               78
_journal_volume                  52
_journal_year                    2002
_chemical_formula_sum            'Al Cs Ge2 O6'
_chemical_name_mineral           CsAlGe2O6
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.945
_cell_length_b                   13.945
_cell_length_c                   13.945
_cell_volume                     2711.787
_exptl_crystal_density_diffrn    3.930
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_13026'
_[local]_cod_chemical_formula_sum_orig 'Cs (Al Ge2) O6'
_cod_database_code               9009960
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/2-z,x,-y
-z,1/2+x,1/2-y
1/2-y,z,-x
-y,1/2+z,1/2-x
1/2-x,y,-z
-x,1/2+y,1/2-z
1/4+x,3/4-z,1/4-y
3/4+x,1/4-z,3/4-y
1/4+z,3/4-y,1/4-x
3/4+z,1/4-y,3/4-x
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4+x,1/4+z,1/4+y
3/4+x,3/4+z,3/4+y
1/4+z,1/4+y,1/4+x
3/4+z,3/4+y,3/4+x
1/4+y,1/4+x,1/4+z
3/4+y,3/4+x,3/4+z
-z,1/2-x,y
1/2-z,-x,1/2+y
-y,1/2-z,x
1/2-y,-z,1/2+x
-x,1/2-y,z
1/2-x,-y,1/2+z
1/2+z,1/2-x,-y
+z,-x,1/2-y
1/2+y,1/2-z,-x
+y,-z,1/2-x
1/2+x,1/2-y,-z
+x,-y,1/2-z
3/4-x,3/4+z,1/4-y
1/4-x,1/4+z,3/4-y
3/4-z,3/4+y,1/4-x
1/4-z,1/4+y,3/4-x
3/4-y,3/4+x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-x,1/4-z,1/4+y
1/4-x,3/4-z,3/4+y
3/4-z,1/4-y,1/4+x
1/4-z,3/4-y,3/4+x
3/4-y,1/4-x,1/4+z
1/4-y,3/4-x,3/4+z
z,x,y
1/2+z,1/2+x,1/2+y
y,z,x
1/2+y,1/2+z,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cs 0.11430 0.11430 0.11430 1.00000 0.03900
Al 0.12710 0.16850 0.40660 0.33333 0.01700
Ge 0.12710 0.16850 0.40660 0.66667 0.01700
O1 0.23800 0.14290 0.35630 1.00000 0.03500
O2 0.11940 0.29210 0.42660 1.00000 0.02300
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cs 0.03900 0.03900 0.03900 0.01100 0.01100 0.01100
Al 0.01600 0.01700 0.01700 0.00300 -0.00100 0.00200
Ge 0.01600 0.01700 0.01700 0.00300 -0.00100 0.00200
O1 0.02700 0.03900 0.04000 0.01400 0.00200 0.01900
O2 0.02700 0.02200 0.02000 0.00100 -0.00100 0.00200