00-006-0696 Apr 17, 2012 5:30 AM (Administrator)

Status Primary QM: Star (S) Pressure/Temperature: Ambient Chemical Formula: Fe

Empirical Formula: Fe Weight %: Fe100.00 Atomic %: Fe100.00 Compound Name: Iron
Mineral Name: Iron, syn Common Name: bainite, ferrite, ledkunite

Radiation: CuKá1 λ: 1.5405Å Intensity: Diffractometer

SYS: Cubic SPGR: Im-3m (229)

Author's Cell [ AuthCell a: 2.8664ŠAuthCell Vol: 23.55ų AuthCell Z: 2.00 AuthCell MolVol: 11.78 ]
Dcalc: 7.875g/cm³ SS/FOM: F(6) = 222.2(0.0045, 6)

Space Group: Im-3m (229) Molecular Weight: 55.85

Crystal Data [ XtlCell a: 2.866Å XtlCell b: 2.866Å XtlCell c: 2.866Å XtlCell α: 90.00° XtlCell β: 90.00°
XtlCell γ: 90.00° XtlCell Vol: 23.55ų XtlCell Z: 2.00 ]
Reduced Cell [ RedCell a: 2.482Å RedCell b: 2.482Å RedCell c: 2.482Å RedCell α: 109.47°
RedCell β: 109.47° RedCell γ: 109.47° RedCell Vol: 11.78ų ]

Crystal (Symmetry Allowed): Centrosymmetric

CAS: 7439-89-6 Pearson: cI2.00 Prototype Structure: W Prototype Structure (Alpha Order): W
LPF Prototype Structure: W,cI2,229 LPF Prototype Structure (Alpha Order): W
Mineral Classification: Iron (Supergroup), 1C-disordered (Group)
Subfile(s): Common Phase, Forensic, Educational Pattern, Metals & Alloys, NBS Pattern, Primary Pattern, Mineral Related
(Mineral , Synthetic), Inorganic
Last Modification Date: 01/15/2010
00-001-1262 (Deleted), 01-085-1410 (Alternate), 04-002-1061, 04-002-1253, 04-002-6854, 04-002-8852,
04-002-8917, 04-003-1419, 04-003-1451, 04-003-1504, 04-003-3330, 04-003-3641, 04-003-3884,
04-003-4033, 04-003-4124, 04-003-4128, 04-003-5301, 04-003-5611, 04-003-7064, 04-003-7155,
Cross-Ref PDF #'s: 04-003-7169, 04-004-2474, 04-004-2475, 04-004-2482, 04-004-3539, 04-004-4294, 04-004-4295,
04-004-4297, 04-004-6356, 04-004-6370, 04-004-7473, 04-004-7777, 04-004-9051, 04-004-9068,
04-004-9070, 04-006-2179, 04-006-3633, 04-006-4004, 04-006-4192, 04-006-6419, 04-007-7937,
04-007-9753, 04-008-1441, 04-011-9042, 04-012-6482

Experimental Data Reference: Swanson et al. Natl. Bur. Stand. (U.S.), Circ. 539 IV, 3 (1955).
Physical Data Reference(s): Ibid.

Additional Patterns: To replace 00-001-1262. See PDF 01-085-1410. Analysis: Total impurities of
sample <0.0013% each metals and non-metals. Color: Gray, light gray metallic. General Comments:
‫م‬-Fe(fcc)=(1390 C) ‫ن‬-Fe(bcc). Opaque Optical Data: Opaque mineral optical data on specimen from
Meteorite: RR2Re= 57.7, Disp.=16, VHN=158 (mean at 100, 200, 300), Color values=.311, .316, 57.9,
Database Comments: Ref.: IMA Commisssion on Ore Microscopy QDF. Sample Preparation: The iron used was an
exceptionally pure rolled sheet prepared at the NBS, Gaithersburg, Maryland, USA., (Moore, G., J.
Met., 5 1443 (1953)). It was annealed in an ''H2'' atmosphere for 3 days at 1100 C and slowly cooled in
a He atmosphere. Temperature of Data Collection: Pattern taken at 298 K. Unit Cell Data Source:
Powder Diffraction.

00-006-0696 (Fixed Slit Intensity) - Cu Kα1 1.54056Å

2θ d(‫)إ‬ I h k l * 2θ d(‫)إ‬ I h k l * 2θ d(‫)إ‬ I h k l *
44.6732 2.026800 100 1 1 0 82.3325 1.170200 30 2 1 1 116.3850 0.906400 12 3 1 0
65.0211 1.433200 20 2 0 0 98.9451 1.013400 10 2 2 0 137.1360 0.827500 6 2 2 2

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