#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107174.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107174
loop_
_publ_author_name
'Schwarz, W.'
'Hausen, H.D.'
'Krebs, B.'
'Mandt, J.'
'Hess, H.'
'Schmelzer, W.'
_publ_section_title
;
 Trimere Metathioborsaeure
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2029
_journal_page_last               2031
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'B3 H3 S6'
_chemical_name_systematic        '(H S B S)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.763
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.949
_cell_length_b                   4.133
_cell_length_c                   17.532
_cell_volume                     917.802
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Schwarz_ACBCAR_1973_1233.cif
_cod_data_source_block           H3B3S6
_cod_original_cell_volume        917.8016
_cod_original_formula_sum        'H3 B3 S6'
_cod_database_code               2107174
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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 0.1309 0.5857 0.30855 1 0.0
B3 B+3 0.37982 0.2457 0.33529 1 0.0
B1 B+3 0.23636 0.4778 0.40745 1 0.0
S4 S-2 0.20925 0.5505 0.49909 1 0.0
S2 S-2 0.36497 0.3148 0.43106 1 0.0
B2 B+3 0.16449 0.4752 0.22363 1 0.0
S1 S-2 0.28671 0.3024 0.22735 1 0.0
S6 S-2 0.50696 0.0855 0.34853 1 0.0
S5 S-2 0.06564 0.554 0.11932 1 0.0
