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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/10/1511083.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_1511083
loop_
_publ_author_name
'Krebs, B.'
'Kuchinke, J.'
'Kueper, J.'
'Lindemann, A.'
'Hamann, W.'
'Koester, C.'
_publ_section_title
;
 Syntheses, crystal structures, and properties of the three novel
 perselenoborates Rb B Se3, Cs B Se3 and Tl B Se3 with polymeric chain
 anions
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              206
_journal_page_last               212
_journal_paper_doi               10.1006/jssc.2000.9076
_journal_volume                  157
_journal_year                    2001
_chemical_formula_sum            'B Cs Se3'
_chemical_name_systematic        'Cs (B Se (Se2))'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.09
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.57
_cell_length_b                   12.791
_cell_length_c                   6.171
_cell_volume                     571.141
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_180.cif
_cod_data_source_block           B1Cs1Se3
_cod_original_cell_volume        571.1407
_cod_original_formula_sum        'B1 Cs1 Se3'
_cod_database_code               1511083
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
Se3 Se-1 0.54755 0.19467 0.33231 1 0.0
Se2 Se-1 0.79989 0.40665 0.31961 1 0.0
B1 B+3 0.7056 0.2693 0.1534 1 0.0
Se1 Se-1 0.93819 0.18176 0.16211 1 0.0
Cs1 Cs+1 0.26101 0.42256 0.2128 1 0.0
