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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/68/1526846.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_1526846
loop_
_publ_author_name
'Lee, Y.-J.'
'Kim, S.-J.'
'Parise, J.B.'
_publ_section_title
;
 Synthesis and crystal structures of gallium- and germanium-variantsof the
 fibrous zeolites with the NAT, EDI and THOstructure types
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              255
_journal_page_last               271
_journal_volume                  34
_journal_year                    2000
_chemical_formula_sum            'Ga7.99 H6.64 Na1.11 O43.32 Rb6.98 Si12.01'
_chemical_name_systematic
'Rb6.98 Na1.11 (Ga7.99 Si12.01 O40) (H2 O)3.32'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.773
_cell_length_b                   9.773
_cell_length_c                   13.141
_cell_volume                     1255.117
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Lee_MIMMFJ_2000_234.cif
_cod_data_source_block           H6.64Ga7.99Na1.11O43.32Rb6.98Si12.01
_cod_original_formula_sum        'H6.64 Ga7.99 Na1.11 O43.32 Rb6.98 Si12.01'
_cod_database_code               1526846
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+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
O3 O-2 0.8134 0.06 0.7255 1 0.0
Ga3 Ga+3 0 0 0.5 0.1 0.0
O5 O-2 0.812 0.3083 0.8156 1 0.0
O1 O-2 0.0855 0.129 0.0742 1 0.0
O6 O-2 0 0.5 0.604 0.17 0.0
Ga1 Ga+3 0 0 0 0.699 0.0
Si1 Si+4 0 0 0 0.301 0.0
O7 O-2 0.88 0.624 0.4591 0.33 0.0
Si4 Si+4 0.8854 0.1567 0.8127 0.9 0.0
O2 O-2 0.0702 0.1205 0.5692 1 0.0
Rb3 Rb+1 0 0.5 0.7601 0.278 0.0
O4 O-2 0.8135 0.0446 0.2122 1 0.0
Na1 Na+1 0.051 0.446 0.821 0.139 0.0
Si2 Si+4 0.8904 0.1504 0.3086 0.301 0.0
Rb1 Rb+1 0.6972 0.8053 0.4306 0.641 0.0
Ga2 Ga+3 0.8904 0.1504 0.3086 0.699 0.0
Si3 Si+4 0 0 0.5 0.9 0.0
Rb2 Rb+1 0.772 0.734 0.4315 0.093 0.0
Ga4 Ga+3 0.8854 0.1567 0.8127 0.1 0.0
