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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/20/1532045.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_1532045
loop_
_publ_author_name
'Parasyuk, O.V.'
'Olekseyuk, I.D.'
'Piskach, L.V.'
'Gulay, L.D.'
_publ_section_title
;
 Phase diagrams of the (Ag2 Se) - (Zn (Cd) Se) - (Si Se2) systems and
 crystal structure of the Cd4 Si Se6 compound
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              138
_journal_page_last               142
_journal_volume                  354
_journal_year                    2003
_chemical_formula_sum            'Cd4 Se6 Si'
_chemical_name_systematic        'Cd4 Si Se6'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.052
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8266
_cell_length_b                   7.3591
_cell_length_c                   12.8197
_cell_volume                     1136.727
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Parasyuk_JALCEU_2003_1397.cif
_cod_data_source_block           Cd4Se6Si1
_cod_original_formula_sum        'Cd4 Se6 Si1'
_cod_database_code               1532045
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Se2 Se-2 0.0442 0.475 0.4762 1 0.0
Se5 Se-2 0.712 0.267 0.264 1 0.0
Cd1 Cd+2 0.3156 0.3995 0.6423 1 0.0
Cd2 Cd+2 0.3416 0.8923 0.4593 1 0.0
Cd3 Cd+2 0.1607 0.9285 0.6563 1 0.0
Se3 Se-2 0.2703 0.2423 0.4472 1 0.0
Se4 Se-2 0.0097 0.007 0.9456 1 0.0
Cd4 Cd+2 0.5255 0.8006 0.8039 1 0.0
Se6 Se-2 0.5134 0.227 0.7092 1 0.0
Se1 Se-2 0.3402 0.2523 0.1562 1 0.0
Si1 Si+4 0.087 0.23 0.394 1 0.0
