#------------------------------------------------------------------------------
#$Date: 2015-10-10 08:58:27 +0300 (Sat, 10 Oct 2015) $
#$Revision: 165323 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/42/8104210.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_8104210
loop_
_publ_author_name
'de Jong, W.F.'
_publ_section_title
;
 Studies of mineral sulpho-salts. VII A systematic arrangement on the
 basis of cell dimensions
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              176
_journal_page_last               180
_journal_volume                  73
_journal_year                    1930
_chemical_formula_sum            'Cu3 Fe0.5 Ge0.5 S4'
_chemical_name_systematic        'Cu3 (Fe Ge)0.5 S4'
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.29
_cell_length_b                   5.29
_cell_length_c                   5.29
_cell_volume                     148.036
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            deJong_ZEKGAX_1930_725.cif
_cod_data_source_block           Cu3Fe0.5Ge0.5S4
_cod_original_cell_volume        148.0359
_cod_database_code               8104210
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-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
S1 S-2 0.25 0.25 0.25 1 0.0
Ge1 Ge+4 0 0 0 0.5 0.0
Cu1 Cu+1 0.5 0.5 0 1 0.0
Fe1 Fe+3 0 0 0 0.5 0.0
