data_53451-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                53451
_audit_creation_date               2003/04/01
_audit_update_record               2006/04/01
_chemical_name_systematic          'Iron - Alpha'
_chemical_formula_structural       Fe
_chemical_formula_sum              Fe1
_publ_section_title
;
Ueber die Temperaturabhaengigkeit der Gitterparameter von Eisen, 
Kobalt und Nickel im Bereich hoher Temperaturen
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Angewandte Physik' 1967 23 245 249 ZAPHAX
2 'Transactions of the Metallurgical Society of Aime' 1965 233 1519 1525 TMSAAB
3 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name
;
Kohlhaas, R.;Duenner, P.;Schmitz-Pranghe, N.
;
_cell_length_a                     2.8665
_cell_length_b                     2.8665
_cell_length_c                     2.8665
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  90.
_cell_volume                       23.55
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I m -3 m'
_symmetry_Int_Tables_number        229
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'z, y, -x'
  2	'y, x, -z'
  3	'x, z, -y'
  4	'z, x, -y'
  5	'y, z, -x'
  6	'x, y, -z'
  7	'z, -y, x'
  8	'y, -x, z'
  9	'x, -z, y'
 10	'z, -x, y'
 11	'y, -z, x'
 12	'x, -y, z'
 13	'-z, y, x'
 14	'-y, x, z'
 15	'-x, z, y'
 16	'-z, x, y'
 17	'-y, z, x'
 18	'-x, y, z'
 19	'-z, -y, -x'
 20	'-y, -x, -z'
 21	'-x, -z, -y'
 22	'-z, -x, -y'
 23	'-y, -z, -x'
 24	'-x, -y, -z'
 25	'-z, -y, x'
 26	'-y, -x, z'
 27	'-x, -z, y'
 28	'-z, -x, y'
 29	'-y, -z, x'
 30	'-x, -y, z'
 31	'-z, y, -x'
 32	'-y, x, -z'
 33	'-x, z, -y'
 34	'-z, x, -y'
 35	'-y, z, -x'
 36	'-x, y, -z'
 37	'z, -y, -x'
 38	'y, -x, -z'
 39	'x, -z, -y'
 40	'z, -x, -y'
 41	'y, -z, -x'
 42	'x, -y, -z'
 43	'z, y, x'
 44	'y, x, z'
 45	'x, z, y'
 46	'z, x, y'
 47	'y, z, x'
 48	'x, y, z'
 49	'z+1/2, y+1/2, -x+1/2'
 50	'y+1/2, x+1/2, -z+1/2'
 51	'x+1/2, z+1/2, -y+1/2'
 52	'z+1/2, x+1/2, -y+1/2'
 53	'y+1/2, z+1/2, -x+1/2'
 54	'x+1/2, y+1/2, -z+1/2'
 55	'z+1/2, -y+1/2, x+1/2'
 56	'y+1/2, -x+1/2, z+1/2'
 57	'x+1/2, -z+1/2, y+1/2'
 58	'z+1/2, -x+1/2, y+1/2'
 59	'y+1/2, -z+1/2, x+1/2'
 60	'x+1/2, -y+1/2, z+1/2'
 61	'-z+1/2, y+1/2, x+1/2'
 62	'-y+1/2, x+1/2, z+1/2'
 63	'-x+1/2, z+1/2, y+1/2'
 64	'-z+1/2, x+1/2, y+1/2'
 65	'-y+1/2, z+1/2, x+1/2'
 66	'-x+1/2, y+1/2, z+1/2'
 67	'-z+1/2, -y+1/2, -x+1/2'
 68	'-y+1/2, -x+1/2, -z+1/2'
 69	'-x+1/2, -z+1/2, -y+1/2'
 70	'-z+1/2, -x+1/2, -y+1/2'
 71	'-y+1/2, -z+1/2, -x+1/2'
 72	'-x+1/2, -y+1/2, -z+1/2'
 73	'-z+1/2, -y+1/2, x+1/2'
 74	'-y+1/2, -x+1/2, z+1/2'
 75	'-x+1/2, -z+1/2, y+1/2'
 76	'-z+1/2, -x+1/2, y+1/2'
 77	'-y+1/2, -z+1/2, x+1/2'
 78	'-x+1/2, -y+1/2, z+1/2'
 79	'-z+1/2, y+1/2, -x+1/2'
 80	'-y+1/2, x+1/2, -z+1/2'
 81	'-x+1/2, z+1/2, -y+1/2'
 82	'-z+1/2, x+1/2, -y+1/2'
 83	'-y+1/2, z+1/2, -x+1/2'
 84	'-x+1/2, y+1/2, -z+1/2'
 85	'z+1/2, -y+1/2, -x+1/2'
 86	'y+1/2, -x+1/2, -z+1/2'
 87	'x+1/2, -z+1/2, -y+1/2'
 88	'z+1/2, -x+1/2, -y+1/2'
 89	'y+1/2, -z+1/2, -x+1/2'
 90	'x+1/2, -y+1/2, -z+1/2'
 91	'z+1/2, y+1/2, x+1/2'
 92	'y+1/2, x+1/2, z+1/2'
 93	'x+1/2, z+1/2, y+1/2'
 94	'z+1/2, x+1/2, y+1/2'
 95	'y+1/2, z+1/2, x+1/2'
 96	'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Fe0+	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
Fe1 Fe0+ 2 a 0 0 0 1. 0 

#End of data_53451-ICSD


