Inorganic Solid Phases

H_xLi_yCo_3−dO₄; H_0.80Li_0.13Co_2.55O₄ (H_1.37Li_0.12Co_2.3O₄[H₂O]_0.16, T = 623 K) Crystal Structure

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General Information

Phase Label(s): H_1.37Li_0.12Co_2.3O₄[H₂O]_0.16
Structure Class(es): spinel family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF56
Space Group: 227
Phase Prototype: Fe₃O₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Co Kα (determination of cell and structural parameters), T = 623 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide, hydrate
Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, Rietveld refinement
Sample Detail(s): sample prepared from Co[NO₃]₂[H₂O]₆, H₂O₂, KOH, NaOH, LiOH, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: H_0.80Li_0.13Co_2.55O₄
Alphabetic Formula: Co_2.55H_0.80Li_0.13O₄
Published Formula: H_xLi_yCo_3−dO₄; H_0.80Li_0.13Co_2.55O₄
Refined Formula: Co_2.70O₄
Wyckoff Sequence: 227,ecb
Z Formula Units: 8
Density: ρ = 5.40 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation	Co-ord. No.	Atomic Env.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1638323

Copyright

©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

Chief Editor

Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

villars.mpds@bluewin.ch

Credits

SpringerMaterials Release 2016.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials HxLiyCo3−dO4; H0.80Li0.13Co2.55O4 (H1.37Li0.12Co2.3O4[H2O]0.16, T = 623 K) Crystal Structure sd_1638323 (Springer-Verlag GmbH, Heidelberg, © 2016)

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