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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/91/1539174.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_1539174
loop_
_publ_author_name
'Vaipolin, A.A.'
'Prochukhan, V.D.'
'Rud', Yu.V.'
'Skoryukin, V.E.'
_publ_section_title
;
 Semiconducting properties of Cu Fe Te2
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              578
_journal_page_last               581
_journal_volume                  20
_journal_year                    1984
_chemical_formula_sum            'Cu Fe Te2'
_chemical_name_systematic        '(Cu Fe) Te2'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.934
_cell_length_b                   3.934
_cell_length_c                   6.078
_cell_volume                     94.065
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Vaipolin_IVNMAW_1984_1295.cif
_cod_data_source_block           Cu1Fe1Te2
_cod_original_cell_volume        94.06529
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Cu1 Fe1 Te2'
_cod_database_code               1539174
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+1/2,z
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
Te1 Te-2 0 0.5 0.28 1 0.0
Fe1 Fe+2 0 0 0 0.5 0.0
Cu1 Cu+2 0 0 0 0.5 0.0
