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01-073-1701 Jul 18, 2024 12:33 PM (user)

Status Primary Quality Mark: Star Environment: Ambient Temp: 298.0 K (Assigned by ICDD editor)
Chemical Formula: Co3 O4 Empirical Formula: Co3 O4 Weight %: Co73.42 O26.58
Atomic %: Co42.86 O57.14 Compound Name: Cobalt Oxide Alternate Name: cobalt dicobalt(III) oxide
Entry Date: 09/01/1998 Modification Date: 09/01/2011 Modifications: Reflections

Radiation: CuKα1 (1.5406 Å) d-Spacing: Calculated Intensity: Calculated - Peak I/Ic: 4.48

Crystal System: Cubic SPGR: Fd-3m (227)


Author's Unit Cell [ a: 8.0835(6) ŠVolume: 528.20 ų Z: 8.00 MolVol: 66.03 ]
Calculated Density: 6.056 g/cm³ Structural Density: 6.05 g/cm³ SS/FOM: F(30) = 999.9(0.0001, 30)
R-factor: 0.02

Space Group: Fd-3m (227) Molecular Wt: 240.80 g/mol


Crystal Data [ a: 8.083 Å b: 8.083 Å c: 8.083 Å α: 90.00° β: 90.00° γ: 90.00°
XtlCell Vol: 528.20 ų XtlCell Z: 8.00 a/b: 1.000 c/b: 1.000 ]
Reduced Cell [ a: 5.716 Å b: 5.716 Å c: 5.716 Å α: 60.00° β: 60.00° γ: 60.00° RedCell Vol: 132.05 ų
]

Crystal (Symmetry Allowed): Centrosymmetric

Subfiles: Common Phase, Inorganic, Metal & Alloy Pearson Symbol: cF 56.00
Prototype Structure [Formula Order]: Fe3 O4 Prototype Structure [Alpha Order]: Fe3 O4
LPF Prototype Structure [Formula Order]: Fe3 O4,cF56,227
LPF Prototype Structure [Alpha Order]: Fe3 O4,cF56,227 ANX: AB2X4

References:
Type DOI Reference

Primary Reference Calculated from ICSD using POWD-12++ 2004.

Additional Reference Knop, O., Reid, K.I.G., Sutarno, R., Nakagawa, Y. Phase Transitions 1992, 38, 127.
Knop, O., Reid, K.I.G., Sutarno, Nakagawa, Y. "Chalkogenides of the transition elements. VI. X-Ray,
Structure 10.1139/v68-576 neutron, and magnetic investigation of the spinels Co3 O4, Ni Co2 O4, Co3 S4, and Ni Co2 S4". Can.
J. Chem. 1968, 46, 3463.

ANX: AB2X4. Analysis: Co3 O4. Formula from original source: Co3 O4. ICSD Collection Code: 24210.
Database Comments: Calculated Pattern Original Remarks: Stable up to 1150 K (2nd ref., Tomaszewski), above cubic.
Wyckoff Sequence: e d a(FD3-MZ). Unit Cell Data Source: Powder Diffraction.

d-spacings (31) - Co3 O4 - 01-073-1701 (Stick, Fixed Slit Intensity) - Cu Kα1 1.54056 Å
2θ (°) d (Å) I h k l * 2θ (°) d (Å) I h k l *
19.000 4.667010 161 1 1 1 90.974 1.080200 25 6 4 2
31.272 2.857950 320 2 2 0 94.099 1.052380 78 7 3 1
36.847 2.437270 1000 3 1 1 99.339 1.010440 29 8 0 0
38.549 2.333510 94 2 2 2 102.518 0.987557 1 7 3 3
44.811 2.020870 198 4 0 0 103.587 0.980268 1 6 4 4
49.084 1.854480 1 3 3 1 107.912 0.952650 11 8 2 2
55.657 1.650040 78 4 2 2 111.226 0.933402 45 7 5 1
59.358 1.555670 297 5 1 1 112.346 0.927241 14 6 6 2
65.237 1.428970 325 4 4 0 116.926 0.903763 16 8 4 0
68.631 1.366360 13 5 3 1 120.486 0.887279 3 9 1 1
69.744 1.347250 1 4 4 2 121.701 0.881982 1 8 4 2
74.123 1.278110 21 6 2 0 126.736 0.861704 3 6 6 4
77.344 1.232720 61 5 3 3 130.739 0.847381 36 9 3 1
78.409 1.218630 35 6 2 2 138.023 0.825019 59 8 4 4
82.629 1.166750 18 4 4 4 142.929 0.812422 2 9 3 3
85.767 1.131920 7 5 5 1

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