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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/1/53/95/1539585.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_1539585
loop_
_publ_author_name
'Andries, K.J.'
'Bosmans, H.J.'
'Grobet, P.J.'
_publ_section_title
;
 The crystal structure of zeolite Linde Q: A proposal based on powder
 x-ray diffraction and 27Al and 29Si MAS n.m.r. spectroscopy
;
_journal_name_full               Zeolites
_journal_page_first              124
_journal_page_last               131
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'Al2 H13.72 N2 O10.86 Si2'
_chemical_name_systematic        '(N H4)2 (Al2 Si2 O8) (H2 O)2.86'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            7
_cell_length_a                   13.509
_cell_length_b                   13.509
_cell_length_c                   13.408
_cell_volume                     2119.049
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Andries_ZEOLD3_1991_1411.cif
_cod_data_source_block           H13.72Al2N2O10.86Si2
_cod_original_formula_sum        'H13.72 Al2 N2 O10.86 Si2'
_cod_database_code               1539585
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-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
O12 O-2 0.8854 0.3128 0 1 0.0
O3 O-2 0.8658 0.4269 0.3602 1 0.0
Si2 Si+4 0.6434 0.135 0.266 1 0.0
O2 O-2 0.7809 0.2044 0.6982 1 0.0
O5 O-2 0.6048 0 0.2351 1 0.0
Al3 Al+3 0.6667 0.3333 0.1252 1 0.0
N3 N-3 0.5 0.5 0.152 1 0.0
O6 O-2 0.3281 0 0.3729 1 0.0
Al2 Al+3 0.6434 0.135 0.734 1 0.0
N1 N-3 0.6667 0.3333 0.5 1 0.0
O13 O-2 0.7992 0.9983 0.8008 1 0.0
N4 N-3 0.6259 0.0469 0.5002 0.5 0.0
O10 O-2 0.6667 0.3333 0 1 0.0
Si1 Si+4 0.8663 0.3051 0.6163 1 0.0
O7 O-2 0.6268 0.2014 0.167 1 0.0
Si3 Si+4 0.6667 0.3333 0.8748 1 0.0
O11 O-2 0.7243 0.1427 0 1 0.0
O14 O-2 0 0 0.3578 1 0.0
O9 O-2 0.8184 0.2609 0.5 1 0.0
O1 O-2 0.7809 0.2044 0.3018 1 0.0
N2 N-3 0.1169 0 0.5 1 0.0
Al1 Al+3 0.8663 0.3051 0.3837 1 0.0
O4 O-2 0.8658 0.4269 0.6398 1 0.0
O8 O-2 0.6268 0.2014 0.833 1 0.0
