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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/50/1535014.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_1535014
loop_
_publ_author_name
'Solntsev, K.A.'
'Mebel, A.M.'
'Votinova, N.A.'
'Kuznetsov, N.T.'
'Charkin, O.P.'
_publ_section_title
;
 Polyhedral anion (B12 H12)2- as a space-aromatic system.
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              340
_journal_page_last               364
_journal_volume                  18
_journal_year                    1992
_chemical_formula_sum            'Cs2 O'
_chemical_name_systematic        'Cs2 (B12 F12) (H2 O)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.816
_cell_length_b                   10.33
_cell_length_c                   15.161
_cell_volume                     1537.314
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Solntsev_KOKHDC_1992_1324.cif
_cod_data_source_block           Cs2O1
_cod_original_formula_sum        'Cs2 O1'
_cod_database_code               1535014
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,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
Cs1 Cs+1 0.04306 0.50494 0.38474 1 0.0
O1 O-2 0.1306 0.3683 0.6921 1 0.0
Cs2 Cs+1 0.08184 0.68669 0.7112 1 0.0
