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#$Date: 2016-01-03 13:33:40 +0200 (Sun, 03 Jan 2016) $
#$Revision: 173085 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/16/1541674.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_1541674
loop_
_publ_author_name
'Zheng Nanfeng'
'Wang Bing'
'Bu Xianhui'
'Feng Pingyun'
_publ_section_title
;
 Microporous and photoluminescent chalcogenide zeolite analogs
;
_journal_name_full               Science
_journal_page_first              2366
_journal_page_last               2369
_journal_volume                  298
_journal_year                    2002
_chemical_formula_sum            'Ga3.332 Ge0.668 N0.251 O0.25 S8'
_chemical_name_systematic
'(Ga3.33 Ge0.67 S8) (C6 H15 N3)0.083 (H2 O)0.25'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   22.532
_cell_length_b                   22.532
_cell_length_c                   39.954
_cell_volume                     20284.287
_citation_journal_id_ASTM        SCIEAS
_cod_data_source_file            ZhengNanfeng_SCIEAS_2002_507.cif
_cod_data_source_block           Ga3.332Ge0.668N0.251O0.25S8
_cod_original_cell_volume        20284.29
_cod_database_code               1541674
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z+1/2
y+1/4,x+3/4,-z+3/4
-x+1/2,y,-z
-y+1/4,-x+1/4,-z+1/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z-1/2
-y-1/4,-x-3/4,z-3/4
x-1/2,-y,z
y-1/4,x-1/4,z-1/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1
y+3/4,x+5/4,-z+5/4
-x+1,y+1/2,-z+1/2
-y+3/4,-x+3/4,-z+3/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z
-y+1/4,-x-1/4,z-1/4
x,-y+1/2,z+1/2
y+1/4,x+1/4,z+1/4
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
S7 S-1 0.61264 0.22876 0.05998 1 0.0
Ga2 Ga+3 0.67417 0.2818 0.09234 0.833 0.0
Ge3 Ge+4 0.56473 0.29757 0.02972 0.167 0.0
S8 S-1 0.75 0.4501 0 1 0.0
S4 S-1 0.5 0.25 -0.0041 1 0.0
S9 S-1 0.62703 0.34418 -0.00522 1 0.0
N1 N 0.7775 0.2195 0.006 0.251 0.0
S6 S-1 0.51222 0.36014 0.06178 1 0.0
Ga3 Ga+3 0.56473 0.29757 0.02972 0.833 0.0
O1 O-2 0.5 0.25 0.125 1 0.0
Ga4 Ga+3 0.68917 0.39169 0.03027 0.833 0.0
S3 S-1 0.53276 0.47528 0.12534 1 0.0
Ge2 Ge+4 0.67417 0.2818 0.09234 0.167 0.0
Ge4 Ge+4 0.68917 0.39169 0.03027 0.167 0.0
Ge1 Ge+4 0.58 0.40763 0.09296 0.167 0.0
S5 S-1 0.64266 0.46209 0.06173 1 0.0
S2 S-1 0.62707 0.34413 0.12696 1 0.0
Ga1 Ga+3 0.58 0.40763 0.09296 0.833 0.0
S1 S-1 0.7441 0.32843 0.06182 1 0.0
