data_105231-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                105231
_audit_creation_date               2004/10/01
_audit_update_record               2006/04/01
_chemical_name_systematic          'Niobium Tin (3/1)'
_chemical_formula_structural       'Nb3 Sn'
_chemical_formula_sum              'Nb3 Sn1'
_publ_section_title
;
Supraleitung in quasibinaeren Legierungsreihen vom Typ A3 B - Nb3 Si 
mit A15 Struktur
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Metallkunde' 1977 68 421 427 ZEMTAE
2 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name                  'Mueller, P.'
_cell_length_a                     5.290(2)
_cell_length_b                     5.290
_cell_length_c                     5.290
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       148.04
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P m -3 n'
_symmetry_Int_Tables_number        223
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'z+1/2, -y+1/2, x+1/2'
  2	'y+1/2, -x+1/2, z+1/2'
  3	'x+1/2, -z+1/2, y+1/2'
  4	'-z+1/2, y+1/2, -x+1/2'
  5	'-y+1/2, x+1/2, -z+1/2'
  6	'-x+1/2, z+1/2, -y+1/2'
  7	'z+1/2, y+1/2, -x+1/2'
  8	'y+1/2, x+1/2, -z+1/2'
  9	'x+1/2, z+1/2, -y+1/2'
 10	'-z+1/2, -y+1/2, x+1/2'
 11	'-y+1/2, -x+1/2, z+1/2'
 12	'-x+1/2, -z+1/2, y+1/2'
 13	'-z+1/2, y+1/2, x+1/2'
 14	'-y+1/2, x+1/2, z+1/2'
 15	'-x+1/2, z+1/2, y+1/2'
 16	'z+1/2, -y+1/2, -x+1/2'
 17	'y+1/2, -x+1/2, -z+1/2'
 18	'x+1/2, -z+1/2, -y+1/2'
 19	'-z+1/2, -y+1/2, -x+1/2'
 20	'-y+1/2, -x+1/2, -z+1/2'
 21	'-x+1/2, -z+1/2, -y+1/2'
 22	'z+1/2, y+1/2, x+1/2'
 23	'y+1/2, x+1/2, z+1/2'
 24	'x+1/2, z+1/2, y+1/2'
 25	'z, x, -y'
 26	'y, z, -x'
 27	'x, y, -z'
 28	'-z, -x, y'
 29	'-y, -z, x'
 30	'-x, -y, z'
 31	'z, -x, y'
 32	'y, -z, x'
 33	'x, -y, z'
 34	'-z, x, -y'
 35	'-y, z, -x'
 36	'-x, y, -z'
 37	'-z, x, y'
 38	'-y, z, x'
 39	'-x, y, z'
 40	'z, -x, -y'
 41	'y, -z, -x'
 42	'x, -y, -z'
 43	'-z, -x, -y'
 44	'-y, -z, -x'
 45	'-x, -y, -z'
 46	'z, x, y'
 47	'y, z, x'
 48	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Nb0+	0
Sn0+	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Nb1 Nb0+ 6 c 0.25 0 0.5 1. 0 
Sn1 Sn0+ 2 a 0 0 0 1. 0 

#End of data_105231-ICSD


