#------------------------------------------------------------------------------
#$Date: 2017-08-03 01:37:41 +0200 (jue 03 de ago de 2017) $
#$Revision: 199473 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/33/2103390.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_2103390
loop_
_publ_author_name
'Marsh, Richard E.'
_publ_section_title
;
 The space groups of point group C₃: some corrections, some
 comments
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              893
_journal_page_last               899
_journal_paper_doi               10.1107/S0108768102011758
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C12 H30 P3 S6 Bi, C6 H6'
_chemical_formula_sum            'C18 H36 Bi P3 S6'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R 3 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   12.342
_cell_length_b                   12.342
_cell_length_c                   17.412
_cell_volume                     2296.944
_cod_data_source_file            bk0117.cif
_cod_data_source_block           FESBOU
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z and _chemical_formula_moiety data items
 after consulting the original publication.

 Antanas Vaitkus,
 2017-08-03

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-03
;
_cod_original_sg_symbol_H-M      'R 32'
_cod_original_formula_sum        'C18 H36 P3 S6 Bi'
_cod_database_code               2103390
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
Bi1 0.0 0.0 0.0 0
S1 0.0652 -0.1482 0.0872 0
P1 0.0 -0.2728 0.0 0
C1 0.124 -0.296 -0.035 0
C2 0.236 -0.190 -0.058 0
C5 0.114 0.0 0.5 1
C6 0.106 0.106 0.5 1
H1 0.143 -0.341 0.006 0
H2 0.088 -0.267 -0.082 0
H3 0.298 -0.213 -0.078 0
H4 0.274 -0.131 -0.015 0
H5 0.220 -0.144 -0.101 0
