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Fe.cif
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Fe.cif
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data_53802-ICSD
#?2009 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States. All rights reserved.
_database_code_ICSD 53802
_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
_chemical_name_mineral Iron
_publ_section_title 'Crystal structure of alpha-iron'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Physical Review (1,1893-132,1963/141,1966-188,1969)'
1917 10 661 696 PHRVAO
2 'Zeitschrift fuer Physikalische Chemie (Leipzig)' 1921 98 181 210 ZPCLAH
3 'Physical Review (1,1893-132,1963/141,1966-188,1969)' 1925 26 60 60 PHRVAO
4 'Golden Book of Phase Transitions, Wroclaw' 2002 1 1 123 GBOPT5
_publ_author_name 'Hull, A.W.'
_cell_length_a 2.866
_cell_length_b 2.866
_cell_length_c 2.866
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 23.54
_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+.5, y+.5, -x+.5'
50 'y+.5, x+.5, -z+.5'
51 'x+.5, z+.5, -y+.5'
52 'z+.5, x+.5, -y+.5'
53 'y+.5, z+.5, -x+.5'
54 'x+.5, y+.5, -z+.5'
55 'z+.5, -y+.5, x+.5'
56 'y+.5, -x+.5, z+.5'
57 'x+.5, -z+.5, y+.5'
58 'z+.5, -x+.5, y+.5'
59 'y+.5, -z+.5, x+.5'
60 'x+.5, -y+.5, z+.5'
61 '-z+.5, y+.5, x+.5'
62 '-y+.5, x+.5, z+.5'
63 '-x+.5, z+.5, y+.5'
64 '-z+.5, x+.5, y+.5'
65 '-y+.5, z+.5, x+.5'
66 '-x+.5, y+.5, z+.5'
67 '-z+.5, -y+.5, -x+.5'
68 '-y+.5, -x+.5, -z+.5'
69 '-x+.5, -z+.5, -y+.5'
70 '-z+.5, -x+.5, -y+.5'
71 '-y+.5, -z+.5, -x+.5'
72 '-x+.5, -y+.5, -z+.5'
73 '-z+.5, -y+.5, x+.5'
74 '-y+.5, -x+.5, z+.5'
75 '-x+.5, -z+.5, y+.5'
76 '-z+.5, -x+.5, y+.5'
77 '-y+.5, -z+.5, x+.5'
78 '-x+.5, -y+.5, z+.5'
79 '-z+.5, y+.5, -x+.5'
80 '-y+.5, x+.5, -z+.5'
81 '-x+.5, z+.5, -y+.5'
82 '-z+.5, x+.5, -y+.5'
83 '-y+.5, z+.5, -x+.5'
84 '-x+.5, y+.5, -z+.5'
85 'z+.5, -y+.5, -x+.5'
86 'y+.5, -x+.5, -z+.5'
87 'x+.5, -z+.5, -y+.5'
88 'z+.5, -x+.5, -y+.5'
89 'y+.5, -z+.5, -x+.5'
90 'x+.5, -y+.5, -z+.5'
91 'z+.5, y+.5, x+.5'
92 'y+.5, x+.5, z+.5'
93 'x+.5, z+.5, y+.5'
94 'z+.5, x+.5, y+.5'
95 'y+.5, z+.5, x+.5'
96 'x+.5, y+.5, z+.5'
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_53802-ICSD