#------------------------------------------------------------------------------
#$Date: 2015-09-17 22:57:08 +0200 (jue 17 de sep de 2015) $
#$Revision: 157035 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/15/1531545.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_1531545
loop_
_publ_author_name
'Hughes, R.W.'
'Weller, M.T.'
_publ_section_title
;
 The structure of the CAS-type zeolite, Cs4 (Al4 Si20 O48) by
 high-resolution powder neutron diffraction and (29)Si MAS NMR
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              189
_journal_page_last               196
_journal_volume                  51
_journal_year                    2002
_chemical_formula_sum            'Al4 Cs4 O48 Si20'
_chemical_name_systematic        'Cs4 (Al4 Si20 O48)'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   16.72422
_cell_length_b                   13.78443
_cell_length_c                   5.02516
_cell_volume                     1158.469
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Hughes_MIMMFJ_2002_751.cif
_cod_data_source_block           Al4Cs4O48Si20
_cod_database_code               1531545
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y,z
x+1/2,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si2 Si+4 0.1578 0.4276 0.5817 0.5 0.0
O1 O-2 0 0 0.6791 1 0.0
O4 O-2 0.099 0.1418 0.5282 1 0.0
Si3 Si+4 0.0885 0.0264 0.6075 1 0.0
Al1 Al+3 0.1578 0.4276 0.5817 0.5 0.0
Cs1 Cs+1 0.25 0.1983 0.0081 1 0.0
Si1 Si+4 0.0509 0.7406 -0.0442 1 0.0
O2 O-2 0.25 0.4093 0.636 1 0.0
O5 O-2 0.0245 0.7402 0.6499 1 0.0
O7 O-2 0.148 0.008 0.8511 1 0.0
O3 O-2 0.1189 0.3246 0.4863 1 0.0
O6 O-2 0.1138 0.4603 0.8554 1 0.0
