#------------------------------------------------------------------------------
#$Date: 2017-08-03 02:37:41 +0300 (Thu, 03 Aug 2017) $
#$Revision: 199473 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/33/2103395.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_2103395
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 H12 N2 O12 Bi, 3(N H4)'
_chemical_formula_sum            'C12 H24 Bi N5 O12'
_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                   7.967
_cell_length_b                   7.967
_cell_length_c                   27.439
_cell_volume                     1508.303
_cod_data_source_file            bk0117.cif
_cod_data_source_block           JIHZAB
_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
;
_cod_original_sg_symbol_H-M      'R 32'
_cod_original_formula_sum        'C12 H24 N5 O12 Bi'
_cod_database_code               2103395
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi 0.0 0.0 0.0
O1 -0.2555 -0.2940 0.0368
O2 -0.4710 -0.4285 0.0966
N1 0.0 0.0 0.0946
N3 0.0 0.0 0.3320
N4 0.0 0.0 0.5
C1 -0.2025 -0.1035 0.1104
C2 -0.3185 -0.2960 0.0798
