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#$Date: 2015-07-11 23:13:26 +0300 (Sat, 11 Jul 2015) $
#$Revision: 146133 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/52/1525213.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_1525213
loop_
_publ_author_name
'Schlenker, J.L.'
'Pluth, J.J.'
'Smith, J.V.'
_publ_section_title
;
 Positions of cations and molecules in zeolites with mordenite-type
 framework. V. Dehydrated Rb-mordenite
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              77
_journal_page_last               82
_journal_volume                  13
_journal_year                    1978
_chemical_formula_sum            'Al8.016 O96 Rb7.48 Si39.984'
_chemical_name_systematic        'Rb8.01 Al8.02 Si39.98 O96'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   18.127
_cell_length_b                   20.408
_cell_length_c                   7.463
_cell_volume                     2760.831
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Schlenker_MRBUAC_1978_246.cif
_cod_data_source_block           Al8.016O96Rb7.48Si39.984
_cod_database_code               1525213
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
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
Al4 Al+3 0.0853 0.2236 0.25 0.167 0.0
O7 O-2 0.2248 0.5 0.5 1 0.0
Si4 Si+4 0.0853 0.2236 0.25 0.833 0.0
O10 O-2 0 0.1996 0.25 1 0.0
Si1 Si+4 0.1958 0.4272 0.5412 0.833 0.0
Rb1 Rb+1 0 0.445 0.8021 0.456 0.0
Al1 Al+3 0.1958 0.4272 0.5412 0.167 0.0
Si3 Si+4 0.0859 0.3805 0.25 0.833 0.0
O1 O-2 0.1208 0.4122 0.4317 1 0.0
O5 O-2 0.1697 0.191 0.75 1 0.0
O2 O-2 0.1241 0.1927 0.4272 1 0.0
Rb2 Rb+1 0 0.1822 0.75 0.78 0.0
O3 O-2 0.2596 0.3777 0.4943 1 0.0
O4 O-2 0.0901 0.303 0.25 1 0.0
Al3 Al+3 0.0859 0.3805 0.25 0.167 0.0
O6 O-2 0.17 0.4191 0.75 1 0.0
Rb3 Rb+1 0.1502 0.0127 0.75 0.089 0.0
O8 O-2 0.25 0.25 0.5 1 0.0
Al2 Al+3 0.1972 0.1902 0.5434 0.167 0.0
Si2 Si+4 0.1972 0.1902 0.5434 0.833 0.0
O9 O-2 0 0.4036 0.25 1 0.0
