data_1527641
_publ_section_title
;
 Zirconium silicide and germanide chalcogenides preparation and crystal
 structures
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              776
_journal_page_last               783
_journal_volume                  83
_journal_year                    1964
_chemical_formula_sum            'S Si Zr'
_chemical_name_systematic        'Zr Si S'
_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            2
_cell_length_a                   3.544
_cell_length_b                   3.544
_cell_length_c                   8.055
_cell_volume                     101.170
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            KleinHaneveld_RTCPA3_1964_1539.cif
_cod_data_source_block           S1Si1Zr1
_cod_cif_authors_sg_Hall         '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_cell_volume        101.1703
_cod_chemical_formula_sum_orig   'S1 Si1 Zr1'
_cod_database_code               1527641
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
S1 S 0 0.5 0.622 1 0.0
Si1 Si 0 0 0 1 0.0
Zr1 Zr 0 0.5 0.2725 1 0.0
