#------------------------------------------------------------------------------
#$Date: 2025-08-18 16:20:24 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301776 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/16/1511644.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_1511644
loop_
_publ_author_name
'Puettmann, C.'
'Hammerschmidt, A.'
'Krebs, B.'
'Doech, M.'
_publ_section_title
;
 Sr3 (B S3)2 und Sr3 (B3 S6)2 : zwei neue nicht-oxidische Chalkogenoborate
 mit trigonal-planar koordiniertem Bor
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              551
_journal_page_last               555
_journal_paper_doi               10.1002/zaac.200390089
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'B6 S12 Sr3'
_chemical_name_systematic        'Sr3 (B3 S6)2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.605
_cell_length_b                   8.605
_cell_length_c                   21.542
_cell_volume                     1381.397
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron4-x_298.cif
_cod_data_source_block           B6S12Sr3
_cod_original_cell_volume        1381.396
_cod_database_code               1511644
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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 0.549217 0.698108 0.084496 1 0.0
S2 S-2 0.367105 0.472001 0.079059 1 0.0
S1 S-2 0.763401 0.718702 0.092519 1 0.0
Sr2 Sr+2 0 0 0.195038 1 0.0
Sr1 Sr+2 0 0 0 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139040929
