# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'beta Plutonium'
_chemical_formula_sum 'Pu'
 
loop_
_publ_author_name
 'W. H. Zachariasen'
 'F. H. Ellinger'
_journal_name_full
;
Acta Crystallographica
;
_journal_volume 16
_journal_year 1963
_journal_page_first 369
_journal_page_last 375
_publ_Section_title
;
 The Crystal Structure of Beta Plutonium Metal
;

# Found in  Donohue, pp. 162-165

_aflow_proto 'A_mC34_12_ah3i2j' 
_aflow_params 'a,b/a,c/a,\beta,y2,x3,z3,x4,z4,x5,z5,x6,y6,z6,x7,y7,z7' 
_aflow_params_values '11.93871,0.876392843113,0.658278825769,129.00411,0.22,0.854,0.241,0.663,0.745,0.566,0.238,0.355,0.232,-0.037,0.333,0.35,0.586' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'mC34' 

_symmetry_space_group_name_Hall "-C 2y"
_symmetry_space_group_name_H-M "C 1 2/m 1"
_symmetry_Int_Tables_number 12

_cell_length_a    11.93871
_cell_length_b    10.46300
_cell_length_c    7.85900
_cell_angle_alpha 90.00000
_cell_angle_beta  129.00411
_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
4 x,-y,z
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z
 
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
Pu1 Pu   2 a 0.00000 0.00000 0.00000  1.00000
Pu2 Pu   4 h 0.00000 0.22000 0.50000  1.00000
Pu3 Pu   4 i 0.85400 0.00000 0.24100  1.00000
Pu4 Pu   4 i 0.66300 0.00000 0.74500  1.00000
Pu5 Pu   4 i 0.56600 0.00000 0.23800  1.00000
Pu6 Pu   8 j 0.35500 0.23200 -0.03700 1.00000
Pu7 Pu   8 j 0.33300 0.35000 0.58600  1.00000
