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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/1/53/50/1535013.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_1535013
loop_
_publ_author_name
'Hanauer, T.'
'Kraus, F.'
'Korber, N.'
_publ_section_title
;
 Synthesis and Crystal Structure of
 Tetraamminelithium-Rubidiumtriselenide, Li (N H3)4 Rb Se3 and
 Pentaamminesodium-Rubidiumtriselenide-Ammonia (1/3), Na (N H3)5 Rb Se3 *
 3(N H3)
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              119
_journal_page_last               125
_journal_volume                  136
_journal_year                    2005
_chemical_formula_sum            'H12 Li N4 Rb Se3'
_chemical_name_systematic        'Li (N H3)4 Rb Se3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.92
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.924
_cell_length_b                   5.9664
_cell_length_c                   20.476
_cell_volume                     2241.904
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Hanauer_MOCMB7_2005_1414.cif
_cod_data_source_block           H12Li1N4Rb1Se3
_cod_original_formula_sum        'H12 Li1 N4 Rb1 Se3'
_cod_database_code               1535013
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+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
H8 H+1 0.015 0.879 0.1618 1 0.0
Se2 Se 0.21796 0.48385 0.35558 1 0.0
N2 N-3 0.4087 0.4781 0.4557 1 0.0
H5 H+1 0.4514 0.4024 0.4666 1 0.0
H9 H+1 -0.0379 1.0194 0.1784 1 0.0
Li1 Li+1 0.401 0.5936 0.5494 1 0.0
Rb1 Rb+1 0.18851 0.98122 0.26001 1 0.0
H11 H+1 -0.1111 1.515 -0.0017 1 0.0
H10 H+1 -0.0431 1.5192 0.0635 1 0.0
H4 H+1 0.3707 0.385 0.4326 1 0.0
Se3 Se 0.09692 0.48254 0.27061 1 0.0
H12 H+1 -0.1149 1.4942 0.0691 1 0.0
Se1 Se 0.10987 1.47601 0.16073 1 0.0
N3 N-3 -0.0177 0.9932 0.1462 1 0.0
N1 N-3 0.30017 0.5144 0.5484 1 0.0
H6 H+1 0.4075 0.5969 0.4274 1 0.0
H2 H+1 0.3033 0.3854 0.5731 1 0.0
H3 H+1 0.268 0.4954 0.5028 1 0.0
H7 H+1 0.0054 1.1191 0.1408 1 0.0
N4 N-3 -0.0909 1.56 0.0444 1 0.0
H1 H+1 0.2845 0.6275 0.5688 1 0.0
