#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/09/1510927.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_1510927
loop_
_publ_author_name
'Diercks, H.'
'Puettmann, C.'
'Krebs, B.'
_publ_section_title
;
 Synthesis, crystal structures and properties of M3 B3 S6 (M= Na, K, Rb)
 and Li Sr B3 S6
;
_journal_name_full
'Phosphorus, Sulfur, Silicon and Related Elements'
_journal_page_first              1
_journal_page_last               4
_journal_paper_doi               10.1080/10426509208055305
_journal_volume                  65
_journal_year                    1992
_chemical_formula_sum            'B3 Li S6 Sr'
_chemical_name_systematic        'Li Sr (B3 S6)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.933
_cell_length_b                   8.703
_cell_length_c                   7.866
_cell_volume                     912.794
_citation_journal_id_ASTM        PSSLEC
_cod_data_source_file            boron_456.cif
_cod_data_source_block           B3Li1S6Sr1
_cod_original_cell_volume        912.7944
_cod_original_formula_sum        'B3 Li1 S6 Sr1'
_cod_database_code               1510927
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,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
S4 S-2 0.42134 0.01765 0.40736 1 0.0
Li1 Li+1 0.5967 0.1091 0.5585 1 0.0
B2 B+3 0.0206 0.0081 0.5583 1 0.0
S6 S-2 0.90428 0.08878 0.01137 1 0.0
S5 S-2 0.68562 0.04912 0.9231 1 0.0
S3 S-2 0.04147 0.21392 0.56856 1 0.0
Sr1 Sr+2 0.2594 0.12067 0.5246 1 0.0
B1 B+3 0.4256 0.1785 0.9732 1 0.0
B3 B+3 0.7997 0.0405 0.4606 1 0.0
S1 S-2 0.12784 0.10642 0.10197 1 0.0
S2 S-2 0.80252 0.24762 0.43095 1 0.0
