Inorganic Solid Phases

NiCr₂S₄ (Cr₂NiS₄ rt, T = 973 K) Crystal Structure

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General Information

Phase Label(s): Cr₂NiS₄ rt
Structure Class(es): –
Classification by Properties: semiconductor
Mineral Name(s): –
Pearson Symbol: mS14
Space Group: 12
Phase Prototype: Mo₂CoS₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 973 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, wR_P = 0.0136
Sample Detail(s): sample prepared from Ni, Cr, S, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Cr_0.5Ni_0.25S
Alphabetic Formula: Cr_0.5Ni_0.25S
Published Formula: NiCr₂S₄
Refined Formula: Cr_0.50Ni_0.25S
Wyckoff Sequence: 12,i³da
Z Formula Units: 8
Density: ρ = 4.21 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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Displacement Parameters

Isotropic

Site	Published B [nm²]	Type	Computed B_eq [nm²]
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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_1520378

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 NiCr2S4 (Cr2NiS4 rt, T = 973 K) Crystal Structure sd_1520378 (Springer-Verlag GmbH, Heidelberg, © 2016)

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