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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/1/52/74/1527488.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_1527488
loop_
_publ_author_name
'Hauge, S.'
_publ_section_title
;
 The crystal structure of rubidium triselenocyanate hemihydrate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              3103
_journal_page_last               3110
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'C3 H N3 O0.5 Rb Se3'
_chemical_name_systematic        'Rb (Se C N)3 (H2 O)0.5'
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F -2 -2'
_symmetry_space_group_name_H-M   'F m 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.71
_cell_length_b                   4.833
_cell_length_c                   22.808
_cell_volume                     1841.961
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Hauge_ACSAA4_1971_1221.cif
_cod_data_source_block           C3H1N3O0.5Rb1Se3
_cod_original_sg_symbol_Hall     'F 2 -2 (y,z,x)'
_cod_original_formula_sum        'C3 H1 N3 O0.5 Rb1 Se3'
_cod_database_code               1527488
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x,y,-z
-x,y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x,y+1/2,z+1/2
-x,y+1/2,-z+1/2
x,y+1/2,-z+1/2
-x,y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,y,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y,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
Rb1 Rb+1 0.1434 0.2384 0 1 0.0
C1 C+2 0.1688 -0.165 0.123 1 0.0
Se1 Se 0.15892 0.0128 0.19247 1 0.0
Se2 Se 0 0 0.19401 1 0.0
N1 N-3 0.1768 -0.276 0.0778 1 0.0
N2 N-3 0 0.378 0.0905 1 0.0
O1 O-2 0 -0.147 0 1 0.0
C2 C+2 0 0.232 0.131 1 0.0
