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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/1/53/14/1531475.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_1531475
loop_
_publ_author_name
'Gulay, L.D.'
'Parasyuk, O.V.'
'Romanyuk, Ya.E.'
_publ_section_title
;
 Crystal structures of low- and high-temperature modifications of Cu2 Cd
 Ge Se4
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              193
_journal_page_last               197
_journal_volume                  347
_journal_year                    2002
_chemical_formula_sum            'Cd Cu2 Ge Se4'
_chemical_name_systematic        'Cu2 Cd Ge Se4'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.0968
_cell_length_b                   6.8929
_cell_length_c                   6.6264
_cell_volume                     369.822
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Gulay_JALCEU_2002_591.cif
_cod_data_source_block           Cd1Cu2Ge1Se4
_cod_original_cell_volume        369.8222
_cod_original_formula_sum        'Cd1 Cu2 Ge1 Se4'
_cod_database_code               1531475
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
-x,y,z
x+1/2,-y,z+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
Ge1 Ge+4 0 0.2941 0 1 0.0
Cu1 Cu+1 0.2332 0.1565 0.514 0.5 0.0
Cu2 Cu+1 0 0.6487 0.5529 1 0.0
Se3 Se-2 0 0.6522 0.1455 1 0.0
Cd1 Cd+2 0.2332 0.1565 0.514 0.5 0.0
Se2 Se-2 0 0.3232 0.6451 1 0.0
Se1 Se-2 0.2516 0.1756 0.1463 1 0.0
