#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/76/1527686.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_1527686
loop_
_publ_author_name
'Krebs, B.'
'Mandt, J.'
_publ_section_title
;
 Struktur und Eigenschaften von Cd4 Si S6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              193
_journal_page_last               206
_journal_volume                  388
_journal_year                    1972
_chemical_formula_sum            'Cd4 S6 Si'
_chemical_name_systematic        'Cd4 Si S6'
_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                 110.38
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.31
_cell_length_b                   7.041
_cell_length_c                   12.336
_cell_volume                     1002.290
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Krebs_ZAACAB_1972_1928.cif
_cod_data_source_block           Cd4S6Si1
_cod_original_cell_volume        1002.29
_cod_original_formula_sum        'Cd4 S6 Si1'
_cod_database_code               1527686
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
S3 S-2 0.3666 0.2708 0.3057 1 0.0
S6 S-2 0.1746 0.7744 0.2558 1 0.0
S2 S-2 -0.0067 0.2515 0.1853 1 0.0
Si1 Si+4 0.2485 0.7317 0.4388 1 0.0
Cd3 Cd+2 0.3147 0.578 0.1922 1 0.0
Cd1 Cd+2 0 0.1142 0 1 0.0
Cd2 Cd+2 0.1833 0.1962 0.3473 1 0.0
S1 S-2 0.2055 0.0257 0.0178 1 0.0
S5 S-2 0.1764 0.4891 0.4853 1 0.0
S4 S-2 0.4306 0.2614 -0.012 1 0.0
Cd4 Cd+2 0.4709 0.1057 0.1875 1 0.0
