data_1525329
_publ_section_title
;
 Die Kristallstruktur von Cs2 S mit einer Bemerkung ueber Cs2 Se, Cs2 Te,
 Rb2 Se und Rb2 Te
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              118
_journal_page_last               130
_journal_volume                  429
_journal_year                    1977
_chemical_formula_sum            'Cs2 S'
_chemical_name_systematic        'Cs2 S'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.571
_cell_length_b                   5.383
_cell_length_c                   10.385
_cell_volume                     479.140
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sommer_ZAACAB_1977_1516.cif
_cod_data_source_block           Cs2S1
_cod_original_cell_volume        479.14
_cod_chemical_formula_sum_orig   'Cs2 S1'
_cod_database_code               1525329
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
Cs1 Cs+1 0.0256 0.25 0.1748 1 0.0
Cs2 Cs+1 0.1502 0.25 0.5743 1 0.0
S1 S-2 0.256 0.25 -0.1121 1 0.0
