#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532660.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_1532660
loop_
_publ_author_name
'Wang Yingxia'
'Song Jiaqing'
'Gies, H.'
_publ_section_title
;
 The substitution of germanium for silicon in AST-type zeolite
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1421
_journal_page_last               1433
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'C6 H16 F Ge10 N O20'
_chemical_name_systematic        '(Ge10 O20 F) (N (C H3)2 (C2 H5)2)'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.271
_cell_length_b                   9.271
_cell_length_c                   14.349
_cell_volume                     1233.317
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            WangYingxia_SSSCFJ_2003_971.cif
_cod_data_source_block           C6H16F1Ge10N1O20
_cod_original_formula_sum        'C6 H16 F1 Ge10 N1 O20'
_cod_database_code               1532660
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-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
-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
F1 F-1 0.5 0.5 0.5 1 0.0
O3 O-2 0.30535 -0.08158 0 1 0.0
O1 O-2 0.40278 0.1173 0.31919 1 0.0
Ge1 Ge+4 0.44471 0.26411 0.38951 1 0.0
N1 N+1 0 0 0.5 1 0.0
C2 C 0.571 0.535 0.137 0.46 0.0
Ge2 Ge+4 0.5 0 0.25 1 0.0
O2 O-2 0.30961 0.38517 0.35946 1 0.0
C1 C 0.339 0.528 0 0.895 0.0
