# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Zirconium Disilicide'
_chemical_formula_sum 'Zr Si2'
 
loop_
_publ_author_name
 'P. G. Cotter'
 'J. A. Kohn'
 'R. A. Potter'
_journal_name_full
;
Journal of the American Ceramic Society
;
_journal_volume 39
_journal_year 1956
_journal_page_first 11
_journal_page_last 12
_publ_Section_title
;
 Physical and X-Ray Study of the Disilicides of Titanium, Zirconium, and Hafnium
;

# Found in  http://materials.springer.com/isp/crystallographic/docs/sd_0530831

_aflow_proto 'A2B_oC12_63_2c_c' 
_aflow_params 'a,b/a,c/a,y1,y2,y3' 
_aflow_params_values '3.73,3.94638069705,0.983914209115,0.061,0.75,0.396' 
_aflow_Strukturbericht 'C49' 
_aflow_Pearson 'oC12' 

_symmetry_space_group_name_Hall "-C 2c 2"
_symmetry_space_group_name_H-M "C m c m"
_symmetry_Int_Tables_number 63

_cell_length_a    3.73000
_cell_length_b    14.72000
_cell_length_c    3.67000
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z+1/2
4 -x,-y,z+1/2
5 -x,-y,-z
6 -x,y,z
7 x,-y,z+1/2
8 x,y,-z+1/2
9 x+1/2,y+1/2,z
10 x+1/2,-y+1/2,-z
11 -x+1/2,y+1/2,-z+1/2
12 -x+1/2,-y+1/2,z+1/2
13 -x+1/2,-y+1/2,-z
14 -x+1/2,y+1/2,z
15 x+1/2,-y+1/2,z+1/2
16 x+1/2,y+1/2,-z+1/2
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si1 Si   4 c 0.00000 0.06100 0.25000 1.00000
Si2 Si   4 c 0.00000 0.75000  0.25000 1.00000
Zr1 Zr   4 c 0.00000 0.39600  0.25000 1.00000
