#------------------------------------------------------------------------------
#$Date: 2025-08-18 16:20:24 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/07/1510771.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_1510771
loop_
_publ_author_name
'Krebs, B.'
'Jansen, C.'
'Kueper, J.'
_publ_section_title
;
 Na2 B2 S5 and Li2 B2 S5: Two novel perthioborates with planar
 1,2,4-trithia-3,5-diborolane rings
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1322
_journal_page_last               1329
_journal_paper_doi               10.1002/zaac.19956210809
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'B2 Na2 S5'
_chemical_name_systematic        'Na2 (B2 S5)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.545
_cell_length_b                   7.441
_cell_length_c                   8.271
_cell_volume                     772.076
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_268.cif
_cod_data_source_block           B2Na2S5
_cod_original_cell_volume        772.0759
_cod_database_code               1510771
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
B2 B+3 0.6198 0.25 0.9042 1 0.0
S1 S-1 0.4817 0.25 0.84236 1 0.0
S2 S-1 0.40239 0.25 0.06369 1 0.0
S5 S-1 0.49164 0.25 1.41871 1 0.0
Na1 Na+1 0.33483 -0.00448 0.5067 1 0.0
S3 S-1 0.64601 0.25 1.12148 1 0.0
S4 S-1 0.72563 0.25 0.76313 1 0.0
B1 B+3 0.5124 0.25 1.2076 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 15241581
