#------------------------------------------------------------------------------
#$Date: 2020-03-17 13:34:05 +0200 (Tue, 17 Mar 2020) $
#$Revision: 249446 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/07/2000736.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_2000736
loop_
_publ_author_name
'Le Lay, L.'
'Powell, D. R.'
'Willis, T. C.'
_publ_section_title
;
 Structure of Sn~0.854~Mo₆S₈
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1179
_journal_page_last               1182
_journal_paper_doi               10.1107/S0108270191014609
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Mo6 S8 Sn0.854'
_chemical_formula_weight         933.5
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3'
_cell_angle_alpha                89.47(2)
_cell_angle_beta                 89.47(2)
_cell_angle_gamma                89.47(2)
_cell_formula_units_Z            1
_cell_length_a                   6.5100(10)
_cell_length_b                   6.5100(10)
_cell_length_c                   6.5100(10)
_cell_volume                     275.86(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    9.777
_exptl_crystal_density_diffrn    5.619
_exptl_crystal_F_000             422.70
_cod_data_source_file            cr0368.cif
_cod_data_source_block           cr0368a
_cod_depositor_comments
;
The unit cell information in this entry had apparently incorrect unit cell information:

_symmetry_space_group_name_H-M     'R -3 {rhombohedral axes}'
_symmetry_space_group_name_Hall     '-P 3*'
_cell_length_a     6.5100(10)
_cell_length_b     ?
_cell_length_c     ?
_cell_angle_alpha     89.47(2)
_cell_angle_beta 90
_cell_angle_gamma 90

The unit cell length and angle was corrected based on assumption of
the rombohedral unit cell.

Saulius Gra\<zulis
;
loop_
_cod_entry_issue_id
_cod_entry_issue_origin
_cod_entry_issue_severity
1 original warning
_cod_database_code               2000736
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn(1) .0 .0 .0 .0318(4)
Mo(1) .22508(8) .41614(7) .56111(8) .0067(2)
S(1) .3791(2) .1262(2) .7443(2) .0095(4)
S(2) .2408(2) .2408(2) .2408(2) .0107(3)
