data_1528852
_publ_section_title
;
 Die Kristallstrukturen von Zr Si und Zr Si2
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              1140
_journal_page_last               1153
_journal_volume                  85
_journal_year                    1954
_chemical_formula_sum            'Si Zr'
_chemical_name_systematic        'Zr Si'
_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                   6.968
_cell_length_b                   3.778
_cell_length_c                   5.291
_cell_volume                     139.286
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            Schachner_MOCHAP_1954_279.cif
_cod_data_source_block           Si1Zr1
_cod_original_cell_volume        139.2861
_cod_chemical_formula_sum_orig   'Si1 Zr1'
_cod_database_code               1528852
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
Si1 Si-4 0.0032 0.25 0.611 1 0.0
Zr1 Zr+4 0.178 0.25 0.125 1 0.0
