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00-044-0145 Jul 18, 2024 12:19 PM (User) : © 2024 International Centre For Diffraction Data. All Rights Reserved

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48 views

00-044-0145 Jul 18, 2024 12:19 PM (User) : © 2024 International Centre For Diffraction Data. All Rights Reserved

Uploaded by

Hasim Lakra
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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00-044-0145 Jul 18, 2024 12:19 PM (user)

Status Primary Quality Mark: Star Environment: Ambient Temp: 298.0 K (Assigned by ICDD editor)
Chemical Formula: Li Co O2 Empirical Formula: Co Li O2 Weight %: Co60.21 Li7.09 O32.69
Atomic %: Co25.00 Li25.00 O50.00 Compound Name: Lithium Cobalt Oxide Entry Date: 09/01/1994

Radiation: CuKα1 (1.5406 Å) Filter: Graph Mono d-Spacing: Diffractometer Intensity: Diffractometer - Peak

Crystal System: Rhombohedral SPGR: R-3m (166)


Author's Unit Cell [ a: 2.8237(1) Šc: 13.8908(9) ŠVolume: 95.92 ų Z: 3.00 MolVol: 31.97 c/a: 4.919
] Calculated Density: 5.083 g/cm³ Color: Brown SS/FOM: F(30) = 325.6(0.0031, 30)

Space Group: R-3m (166) Molecular Wt: 97.87 g/mol


Crystal Data [ a: 2.824 Å b: 2.824 Å c: 13.891 Å α: 90.00° β: 90.00° γ: 120.00°
XtlCell Vol: 95.92 ų XtlCell Z: 3.00 c/a: 4.919 a/b: 1.000 c/b: 4.919 ]
Reduced Cell [ a: 2.824 Å b: 2.824 Å c: 4.909 Å α: 73.28° β: 73.28° γ: 60.00° RedCell Vol: 31.97 ų
]

Crystal (Symmetry Allowed): Centrosymmetric

Subfiles: Battery Material, Inorganic Pearson Symbol: hR 4.00

Cross-Ref PDF #'s: 00-016-0427 (Deleted), 00-036-1004 (Deleted), 00-050-0653 (Primary)

References:
Type DOI Reference
Liles, D., Gummow, R., Thackeray, M., Div. Mater. Sci. & Tech., CSIR, Pretoria, South Africa. Private
Primary Reference Communication.
Unit Cell Gummow, R., Thackeray, M., David, W., Hull, S. Mater. Res. Bull. 1992, 27, 327.

Additional Patterns: To replace 00-016-0427 and 00-036-1004. General Comments: Validated by


Database Comments: Rietveld structure refinements using both X-ray and neutron diffraction data. "Low temperature" ''Li
Co O2'' with a layered structure. Sample Preparation: Prepared by heating a stoichiometric mixture of
''Li2 C O3'' and ''Co C O3'' at 400 C in air for approximately one week to form a single phase product.

d-spacings (33) - Li Co O2 - 00-044-0145 (Stick, Fixed Slit Intensity) - Cu Kα1 1.54056 Å


2θ (°) d (Å) I h k l * 2θ (°) d (Å) I h k l * 2θ (°) d (Å) I h k l *
19.153 4.6300 84 0 0 3 78.457 1.2180 6 0 2 1 103.761 0.9791 1 1 0 13
37.312 2.4080 49 1 0 1 79.249 1.2078 3 1 0 10 112.557 0.9261 1 0 0 15
38.870 2.3150 5 0 0 6 79.438 1.2054 6 1 1 6 113.287 0.9222 5 2 1 1
39.010 2.3070 16 0 1 2 79.533 1.2042 3 2 0 2 113.819 0.9194 2 0 1 14
45.319 1.9994 100 1 0 4 83.437 1.1575 4 0 0 12 114.126 0.9178 2 0 2 10
49.623 1.8356 14 0 1 5 83.809 1.1533 12 0 2 4 114.435 0.9162 3 1 2 2
59.878 1.5434 3 0 0 9 86.711 1.1220 5 0 1 11 118.736 0.8952 12 1 1 12
59.985 1.5409 17 1 0 7 86.992 1.1191 3 2 0 5 119.170 0.8932 13 2 1 4
65.926 1.4157 25 0 1 8 95.368 1.0417 4 1 1 9 122.544 0.8784 3 2 0 11
66.132 1.4118 26 1 1 0 95.465 1.0409 4 0 2 7 122.879 0.8770 4 1 2 5
69.557 1.3504 18 1 1 3 100.800 0.9997 7 2 0 8 133.647 0.8379 7 2 1 7

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