data_1523714
_publ_section_title
;
 Crystal structure of the intermetallic compound Ni11 Zr9
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              87
_journal_page_last               90
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'Ni11 Zr9'
_chemical_name_systematic        'Ni11 Zr9'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.88
_cell_length_b                   9.88
_cell_length_c                   6.61
_cell_volume                     645.231
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Glimois_JCOMAH_1979_1595.cif
_cod_data_source_block           Ni11Zr9
_cod_original_cell_volume        645.2312
_cod_database_code               1523714
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
Zr1 Zr 0 0 0 1 0.0
Zr3 Zr 0.108 0.305 0 1 0.0
Zr2 Zr 0.405 0.21 0 1 0.0
Ni1 Ni 0 0 0.5 1 0.0
Ni3 Ni 0.225 0.125 0.22 1 0.0
Ni2 Ni 0 0.5 0.25 1 0.0
