#------------------------------------------------------------------------------
#$Date: 2016-02-19 15:29:56 +0100 (Fri 19 de Feb de 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/18/2001839.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_2001839
loop_
_publ_author_name
'Gougeon, P.'
'Potel, M.'
_publ_section_title
;
 Cs~4~Mo~21~S~25~: a new structure type containing Mo~9~ and Mo~12~
 condensed clusters
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              427
_journal_page_last               430
_journal_paper_doi               10.1107/S0108270192006036
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Cs4 Mo21 S25'
_chemical_formula_weight         3347.96
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.4543(5)
_cell_length_b                   9.4543(5)
_cell_length_c                   83.200(10)
_cell_volume                     6440.4(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    10.26
_exptl_crystal_density_diffrn    5.179
_exptl_crystal_F_000             9012
_cod_data_source_file            du1004.cif
_cod_data_source_block           du1004_structure_1_of_1
_cod_original_cell_volume        6440.0(10)
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_database_code               2001839
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mo(1) .14945(8) -.02117(8) .459730(10)
Mo(2) -.01714(8) -.17204(8) .487050(10)
Mo(3) .16015(8) -.00661(8) .222630(10)
Mo(4) -.16410(10) .000 .250
S(1) .2826(2) .3204(2) .03793(2)
S(2) .6992(2) .0492(2) .31964(3)
S(3) .3029(2) .2890(2) .22534(2)
S(4) .3011(3) .000 .250
S(5) .000 .000 .06249(4)
S(6) .000 .000 .20032(4)
Cs(1) .000 .000 .157830(10)
Cs(2) .000 .000 .102540(10)
