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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343784.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4343784
loop_
_publ_author_name
'Korenstein, R.'
'Soled, S.'
'Wold, A.'
'Collin, G.'
_publ_section_title
;
 Preparation and characterization of the skutterudite-related phases Co
 Ge1.5 S1.5 and Co Ge1.5 Se1.5
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2344
_journal_page_last               2345
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum            'Co Ge1.5 Se1.5'
_chemical_name_systematic        'Co Ge1.5 Se1.5'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.299
_cell_length_b                   8.299
_cell_length_c                   8.299
_cell_volume                     571.580
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Korenstein_INOCAJ_1977_640.cif
_cod_data_source_block           Co1Ge1.5Se1.5
_cod_original_cell_volume        571.5803
_cod_original_sg_symbol_Hall     'R 3 (-y+z,x+z,-x+y+z)'
_cod_chemical_formula_sum_orig   'Co1 Ge1.5 Se1.5'
_cod_database_code               4343784
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
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
Co4 Co 0.748 0.748 0.238 1 0.0
Ge4 Ge 0.501 0.348 0.155 1 0.0
Ge1 Ge 0.006 -0.154 0.331 1 0.0
Se3 Se 0.489 0.683 0.166 1 0.0
Se1 Se -0.004 -0.146 0.668 1 0.0
Ge2 Ge 0.008 0.144 0.658 1 0.0
Co2 Co 0.759 0.759 0.759 1 0.0
Se2 Se -0.002 0.14 0.352 1 0.0
Se4 Se 0.493 0.353 0.853 1 0.0
Co3 Co 0.752 0.256 0.262 1 0.0
Ge3 Ge 0.498 0.647 0.825 1 0.0
Co1 Co 0.25 0.25 0.25 1 0.0