# CIF file

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'alpha Np'
_chemical_formula_sum 'Np'

loop_
_publ_author_name
 'W. H. Zachariasen'
_journal_name_full
;
Acta Crystallographica
;
_journal_volume 5
_journal_year 1952
_journal_page_first 660
_journal_page_last 664
_publ_Section_title
;
 Crystal chemical studies of the 5f-series of elements. XVII. The crystal structure of neptunium metal
;

# Found in  Donohue, pp. 151-153

_aflow_proto 'A_oP8_62_2c'
_aflow_params 'a,b/a,c/a,x1,z1,x2,z2'
_aflow_params_values '6.663,0.708839861924,0.73345339937,0.464,0.292,0.181,0.658'
_aflow_Strukturbericht 'A_c'
_aflow_Pearson 'oP8'

_symmetry_space_group_name_Hall "-P 2ac 2n"
_symmetry_space_group_name_H-M "P n m a"
_symmetry_Int_Tables_number 62

_cell_length_a    6.66300
_cell_length_b    4.72300
_cell_length_c    4.88700
_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+1/2,-y+1/2,-z+1/2
3 -x,y+1/2,-z
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x+1/2,y+1/2,z+1/2
7 x,-y+1/2,z
8 x+1/2,y,-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
Np1 Np   4 c 0.46400 0.25000 0.29200 1.00000
Np2 Np   4 c 0.18100 0.25000 0.65800 1.00000
