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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/43/4344386.cif $
#------------------------------------------------------------------------------
#
# 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_4344386
loop_
_publ_author_name
'Korenstein, R.'
'Wold, A.'
'Soled, S.'
'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               2346
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum            'Co2 Ge3 S3'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   11.338
_cell_length_b                   11.338
_cell_length_c                   13.386
_cell_volume                     1490.234
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Korenstein_INOCAJ_1977_452.cif
_cod_data_source_block           Co2Ge3S3
_cod_database_code               4344386
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
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
Ge3 Ge 0.841 0.832 0.657 1 0.0
S1 S 0.157 0.171 0.839 1 0.0
S3 S 0.058 0.265 0.431 1 0.0
Co3 Co 0.329 0.161 0.423 1 0.0
S2 S 0.501 0.145 0.497 1 0.0
Co4 Co 0.17 0.34 0.578 1 0.0
Co1 Co 0 0 0.25 1 0.0
Ge4 Ge 0.166 0.18 0.335 1 0.0
Ge2 Ge 0.738 0.612 0.27 1 0.0
S4 S 0.927 0.713 0.566 1 0.0
Co2 Co 0 0 0.759 1 0.0
Ge1 Ge 0.612 0.063 0.394 1 0.0
