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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107132.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_2107132
loop_
_publ_author_name
'Potel, M.'
'Chevrel, R.'
'Sergent, M.'
_publ_section_title
;
 In2 Mo15 Se19. Nouvel exemple de structure a motifs Mo6 Se8 et Mo9 Ye11
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1007
_journal_page_last               1010
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'In2 Mo15 Se19'
_chemical_name_systematic        'In2 (Mo15 Se19)'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                27.808
_cell_angle_beta                 27.808
_cell_angle_gamma                27.808
_cell_formula_units_Z            2
_cell_length_a                   20.159
_cell_length_b                   20.159
_cell_length_c                   20.159
_cell_volume                     1574.321
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Potel_ACBCAR_1981_1408.cif
_cod_data_source_block           In2Mo15Se19
_cod_original_sg_symbol_Hall     '-R 3 2"c (-y+z,x+z,-x+y+z)'
_cod_database_code               2107132
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y+1/2,-x+1/2,-z+1/2
-z+1/2,-y+1/2,-x+1/2
-x+1/2,-z+1/2,-y+1/2
-x,-y,-z
-z,-x,-y
-y,-z,-x
y-1/2,x-1/2,z-1/2
z-1/2,y-1/2,x-1/2
x-1/2,z-1/2,y-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Se5 Se-2 0.17609 0.17609 0.17609 1 0.0
Mo2 Mo+2 0.2225 0.04574 0.36373 1 0.0
Mo1 Mo+2 0.49988 0.68888 0.37056 1 0.0
Mo3 Mo+2 0.40973 0.09027 0.25 1 0.0
Se2 Se-2 0.53807 0.92007 0.18467 1 0.0
Se3 Se-2 0.05981 0.44019 0.75 1 0.0
Se4 Se-2 0.44543 0.44543 0.44543 1 0.0
Se1 Se-2 0.18982 0.8034 0.55668 1 0.0
In1 In+3 0.11425 0.11425 0.11425 1 0.0
