#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/08/1510829.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_1510829
loop_
_publ_author_name
'Hammerschmidt, A.'
'Krebs, B.'
'Doech, M.'
'Puettmann, C.'
_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            'B2 S6 Sr3'
_chemical_name_systematic        'Sr3 (B S3)2'
_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                 102.24
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.187
_cell_length_b                   6.61
_cell_length_c                   15.411
_cell_volume                     1014.127
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron_339.cif
_cod_data_source_block           B2S6Sr3
_cod_database_code               1510829
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
S3 S-2 0.074896 -0.201004 0.430199 1 0.0
S2 S-2 0.110601 -0.659 0.392501 1 0.0
B1 B+3 0.138702 -0.394001 0.365004 1 0.0
Sr2 Sr+2 -0.162861 -0.484411 0.41327 1 0.0
S1 S-2 0.222201 -0.305299 0.279298 1 0.0
Sr1 Sr+2 0 0.0222 0.25 1 0.0
