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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/1/53/36/1533618.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_1533618
loop_
_publ_author_name
'Tiritiris, I.'
'Schleid, T.'
_publ_section_title
;
 Die Dodekahydro-closo-Dodekaborate M2 (B12 H12) der schweren
 Alkalimetalle (M(+) = K(+), Rb(+), (N H4)(+), Cs(+)) und ihre formalen
 Iodid-Addukte M3 I (B12 H12) (= (M I) * (M2 (B12 H12)))
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1390
_journal_page_last               1402
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'B12 H20 N2'
_chemical_name_systematic        '(N H4)2 (B12 H12)'
_space_group_IT_number           202
_symmetry_space_group_name_Hall  '-F 2 2 3'
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8781
_cell_length_b                   10.8781
_cell_length_c                   10.8781
_cell_volume                     1287.239
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Tiritiris_ZAACAB_2003_1054.cif
_cod_data_source_block           H20B12N2
_cod_original_formula_sum        'H20 B12 N2'
_cod_database_code               1533618
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
z,x,y
-z,-x,y
z,-x,-y
-z,x,-y
y,z,x
y,-z,-x
-y,z,-x
-y,-z,x
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
-z,-x,-y
z,x,-y
-z,x,y
z,-x,y
-y,-z,-x
-y,z,x
y,-z,x
y,z,-x
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
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
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,x+1/2
-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
-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
-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,-x+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
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,-y+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+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
-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,y+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+1/2
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
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
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
-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
-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
-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
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
H2 H+1 0.205 0.205 0.205 1 0.0
B1 B 0 0.1329 0.08188 1 0.0
N1 N-3 0.25 0.25 0.25 1 0.0
H1 H-1 0 0.2232 0.1364 1 0.0
