#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510746.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_1510746
loop_
_publ_author_name
'Koester, C.'
'Doech, M.'
'Kuchinke, J.'
'Krebs, B.'
'Lindemann, A.'
'Pruss, T.'
'Hammerschmidt, A.'
_publ_section_title
;
 The first perselenoborate with a novel three-dimensional anion network
;
_journal_name_full
'Phosphorus, Sulfur, Silicon and Related Elements'
_journal_page_first              169
_journal_page_last               172
_journal_paper_doi               10.1080/10426500108546617
_journal_volume                  169
_journal_year                    2001
_chemical_formula_sum            'B2 Li2 Se5'
_chemical_name_systematic        'Li2 (B2 Se3 (Se2))'
_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                 109.96
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.616
_cell_length_b                   5.3181
_cell_length_c                   12.382
_cell_volume                     657.059
_citation_journal_id_ASTM        PSSLEC
_cod_data_source_file            boron_237.cif
_cod_data_source_block           B2Li2Se5
_cod_original_cell_volume        657.0588
_cod_database_code               1510746
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
B1 B+3 0.1412 0.4453 0.2076 1 0.0
Se1 Se-1 0.06531 0.6602 0.06056 1 0.0
Li1 Li+1 0.1261 0.9823 0.4321 1 0.0
Se2 Se-2 0.24422 0.67932 0.33942 1 0.0
Se3 Se-2 0 0.24181 0.25 1 0.0
