# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Plutonium carbide'
_chemical_formula_sum 'Pu2 C3'
 
loop_
_publ_author_name
 'J. L. Green'
 'G. P. Arnold'
 'J. A. Leary'
 'N. G. Nereson'
_journal_name_full
;
Journal of Nuclear Materials
;
_journal_volume 34
_journal_year 1970
_journal_page_first 281
_journal_page_last 289
_publ_Section_title
;
 Crystallographic and magnetic ordering studies of plutonium carbides using neutron diffraction
;

#Found in Pearson’s Handbook, Vol. IV, pp 1993

_aflow_proto 'A3B2_cI40_220_d_c' 
_aflow_params 'a,x1,x2' 
_aflow_params_values '8.135,0.0492,0.2896' 
_aflow_Strukturbericht 'D5_c' 
_aflow_Pearson 'cI40' 

_symmetry_space_group_name_Hall "I -4bd 2c 3 I(-4)3d"
_symmetry_space_group_name_H-M "I -4 3 d"
_symmetry_Int_Tables_number 220

_cell_length_a    8.13500
_cell_length_b    8.13500
_cell_length_c    8.13500
_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+1/2
3 -x+1/2,y,-z
4 -x,-y+1/2,z
5 y,z,x
6 y,-z,-x+1/2
7 -y+1/2,z,-x
8 -y,-z+1/2,x
9 z,x,y
10 z,-x,-y+1/2
11 -z+1/2,x,-y
12 -z,-x+1/2,y
13 y+1/4,x+1/4,z+1/4
14 y+1/4,-x+3/4,-z+1/4
15 -y+1/4,x+1/4,-z+3/4
16 -y+3/4,-x+1/4,z+1/4
17 x+1/4,z+1/4,y+1/4
18 x+1/4,-z+3/4,-y+1/4
19 -x+1/4,z+1/4,-y+3/4
20 -x+3/4,-z+1/4,y+1/4
21 z+1/4,y+1/4,x+1/4
22 z+1/4,-y+3/4,-x+1/4
23 -z+1/4,y+1/4,-x+3/4
24 -z+3/4,-y+1/4,x+1/4
25 x+1/2,y+1/2,z+1/2
26 x+1/2,-y+1/2,-z
27 -x,y+1/2,-z+1/2
28 -x+1/2,-y,z+1/2
29 y+1/2,z+1/2,x+1/2
30 y+1/2,-z+1/2,-x
31 -y,z+1/2,-x+1/2
32 -y+1/2,-z,x+1/2
33 z+1/2,x+1/2,y+1/2
34 z+1/2,-x+1/2,-y
35 -z,x+1/2,-y+1/2
36 -z+1/2,-x,y+1/2
37 y+3/4,x+3/4,z+3/4
38 y+3/4,-x+1/4,-z+3/4
39 -y+3/4,x+3/4,-z+1/4
40 -y+1/4,-x+3/4,z+3/4
41 x+3/4,z+3/4,y+3/4
42 x+3/4,-z+1/4,-y+3/4
43 -x+3/4,z+3/4,-y+1/4
44 -x+1/4,-z+3/4,y+3/4
45 z+3/4,y+3/4,x+3/4
46 z+3/4,-y+1/4,-x+3/4
47 -z+3/4,y+3/4,-x+1/4
48 -z+1/4,-y+3/4,x+3/4
 
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  16 c 0.04920 0.04920 0.04920 1.00000
C1  C   24 d 0.28960 0.00000 0.25000 1.00000
