#------------------------------------------------------------------------------
#$Date: 2016-01-09 14:21:51 +0200 (Sat, 09 Jan 2016) $
#$Revision: 174034 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542075.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_1542075
loop_
_publ_author_name
'Zheng Nanfeng'
'Bu Xianhui'
'Wang Bing'
'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            'Ga2.46 Se8 Sn1.54'
_chemical_name_systematic        '(Ga2.47 Sn1.53 Se8) (C6 H18 N4)'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5373
_cell_length_b                   12.5373
_cell_length_c                   20.564
_cell_volume                     3232.330
_citation_journal_id_ASTM        SCIEAS
_cod_data_source_file            ZhengNanfeng_SCIEAS_2002_523.cif
_cod_data_source_block           Ga2.46Se8Sn1.54
_cod_original_cell_volume        3232.329
_cod_database_code               1542075
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
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,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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
Se1 Se-1 -0.03962 0.22644 -2e-05 1 0.0
Se3 Se-1 0 0 0.14059 1 0.0
Se2 Se-1 0.19866 0.25 0.125 1 0.0
Sn1 Sn+4 0.08644 0.12456 0.06563 0.385 0.0
Ga1 Ga+3 0.08644 0.12456 0.06563 0.615 0.0
