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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/1/53/69/1536928.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_1536928
loop_
_publ_author_name
'Zanardi, S.'
'Fornes, V.'
'Alberti, A.'
'Brunelli, M.'
'Corma, A.'
'Cruciani, G.'
_publ_section_title
;
 Crystal Structure Determination of Zeolite Nu-6(2) and Its Layered
 Precursor Nu-6(1)
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              4933
_journal_page_last               4937
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.091
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   17.2569
_cell_length_b                   4.9881
_cell_length_c                   13.8482
_cell_volume                     1145.340
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Zanardi_ACIEF5_2004_1490.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        1145.34
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'O2 Si1'
_cod_database_code               1536928
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
x-1/2,-y-1/2,z
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
O10 O-2 0.3462 0.1404 0.4236 1 0.0
O3 O-2 0.6402 0.8547 0.3845 1 0.0
O7 O-2 0.4167 0.9246 -0.2075 1 0.0
O4 O-2 0.722 0.2636 0.4952 1 0.0
O11 O-2 0.3639 0.4331 -0.2289 1 0.0
O1 O-2 0.3737 0.6247 0.1175 1 0.0
O5 O-2 0.3612 0.7092 -0.0688 1 0.0
O8 O-2 0.2481 0.885 0.0176 1 0.0
Si4 Si+4 0.3501 0.729 -0.1906 1 0.0
Si3 Si+4 0.3093 0.6423 0.0109 1 0.0
Si1 Si+4 0.3286 0.2344 0.3038 1 0.0
O2 O-2 0.3852 0.4824 0.2984 1 0.0
Si6 Si+4 0.6973 0.952 0.4901 1 0.0
O6 O-2 0.5013 0.7259 0.2598 1 0.0
O9 O-2 0.3639 -0.0105 0.2527 1 0.0
O12 O-2 0.2392 0.315 0.2504 1 0.0
Si2 Si+4 0.5921 0.7965 0.2688 1 0.0
Si5 Si+4 0.4068 0.7245 0.2323 1 0.0
