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#$Date: 2016-03-24 15:50:04 +0100 (Thu, 24 Mar 2016) $
#$Revision: 179677 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/02/2000245.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_2000245
loop_
_publ_author_name
'Gougeon, P.'
'Potel, M.'
'Sergent, M.'
_publ_section_title
;
 Structure of the metastable binary \b-Mo~15~Se~19~
;
_journal_coden_ASTM              ACSCEE
_journal_coeditor_code           DU0274
_journal_issue                   9
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1791
_journal_page_last               1794
_journal_paper_doi               10.1107/S0108270191003050
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Mo15 Se19'
_chemical_formula_weight         2939.34
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                26.9810(10)
_cell_angle_beta                 26.9810(10)
_cell_angle_gamma                26.9810(10)
_cell_formula_units_Z            2
_cell_length_a                   20.3600(10)
_cell_length_b                   20.3600(10)
_cell_length_c                   20.3600(10)
_cell_volume                     1532.20(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    281.28
_exptl_crystal_density_diffrn    6.371
_exptl_crystal_F_000             2552
_cod_data_source_file            du0274.cif
_cod_data_source_block           du0274a
_cod_original_sg_symbol_H-M      'R -3 c {rhombohedral axes}'
_cod_database_code               2000245
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mo1 0.49818(4) 0.69255(4) 0.36968(4)
Mo2 0.22468(4) 0.04038(4) 0.36761(4)
Mo3 0.41300(10) 0.0870(10) 0.250
Se1 0.18482(4) 0.80685(4) 0.55594(4)
Se2 0.54368(5) 0.91827(5) 0.18296(5)
Se3 0.0641(2) 0.43590(10) 0.75
Se4 0.44577(3) 0.44577(3) 0.44577(3)
Se5 0.17689(3) 0.17689(3) 0.17689(3)
