#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009958.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009958
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: Rb-AlGe-Para
;
_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 Ge3 O8 Rb'
_[local]_cod_chemical_formula_sum_orig 'Rb (Al Ge3) O8'
_chemical_name_mineral           RbAlGe3O8
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.848
_cell_length_b                   9.550
_cell_length_c                   10.010
_cell_volume                     845.829
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
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
Rb 0.40360 -0.25000 0.42030 1.00000 0.02500
Al1 0.07370 0.06740 0.30910 0.25000 0.01100
Ge1 0.07370 0.06740 0.30910 0.75000 0.01100
Al2 0.22020 0.06690 0.59170 0.25000 0.01400
Ge2 0.22020 0.06690 0.59170 0.75000 0.01400
O1 0.06960 0.05410 0.68640 1.00000 0.02100
O2 0.28530 0.25000 0.60650 1.00000 0.02200
O3 0.19710 0.01060 0.42680 1.00000 0.02100
O4 0.35480 -0.05020 0.64970 1.00000 0.01900
O5 0.01640 0.25000 0.33850 1.00000 0.02100
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
Rb 0.02700 0.03100 0.01600 0.00000 0.00400 0.00000
Al1 0.01100 0.01700 0.00500 0.00000 0.00100 0.00000
Ge1 0.01100 0.01700 0.00500 0.00000 0.00100 0.00000
Al2 0.01200 0.02000 0.00900 0.00000 -0.00100 0.00000
Ge2 0.01200 0.02000 0.00900 0.00000 -0.00100 0.00000
O1 0.01600 0.03100 0.01700 -0.00400 0.00800 -0.00700
O2 0.01500 0.02000 0.03000 0.00000 0.00000 0.00000
O3 0.01800 0.03800 0.00800 0.00500 -0.00300 -0.00500
O4 0.02400 0.02900 0.00500 0.00400 -0.00400 -0.00300
O5 0.02300 0.01900 0.02000 0.00000 0.00900 0.00000
_cod_database_code 9009958