#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/12/1511221.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_1511221
loop_
_publ_author_name
'Hiltmann, F.'
'Jansen, C.'
'Krebs, B.'
_publ_section_title
;
 Li3BS3 und LiSRBS3: Neue Orthothioborate mit trigonal-planar
 koordiniertem Bor
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1508
_journal_page_last               1514
_journal_paper_doi               10.1002/zaac.19966220912
_journal_volume                  622
_journal_year                    1996
_chemical_formula_sum            'B Li S3 Sr'
_chemical_name_systematic        'Li Sr (B S3)'
_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                   7.557
_cell_length_b                   9.083
_cell_length_c                   7.049
_cell_volume                     483.845
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            boron0-1_334.cif
_cod_data_source_block           B1Li1S3Sr1
_cod_original_formula_sum        'B1 Li1 S3 Sr1'
_cod_database_code               1511221
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
S1 S-2 0.0226 0.25 0.622 1 0.0
B1 B+3 0.2146 0.25 0.4621 1 0.0
Sr1 Sr+2 0.35643 0.75 0.52635 1 0.0
S2 S-2 0.30428 0.42128 0.36929 1 0.0
Li1 Li+1 0 0.5 0.5 1 0.0
