Inorganic Solid Phases

α-SnCu₂FeS₄ (Cu₂FeSnS₄ rt) Crystal Structure

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General Information

Phase Label(s): Cu₂FeSnS₄ rt
Structure Class(es): normal adamantane structure
Classification by Properties: –
Mineral Name(s): stannite
Pearson Symbol: tI16
Space Group: 121
Phase Prototype: Cu₂FeSnS₄
Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 20 variables, R = 0.060
Sample Detail(s): sample prepared from SnS, CuFeS₂, energy-dispersive X-ray analysis, single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: Cu₂FeSnS₄
Alphabetic Formula: Cu₂FeS₄Sn
Published Formula: α-SnCu₂FeS₄
Refined Formula: Cu₂FeS₄Sn
Wyckoff Sequence: 81,hgca
Z Formula Units: 1
Density: ρ = 4.50 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 U [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_1920375

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 α-SnCu2FeS4 (Cu2FeSnS4 rt) Crystal Structure sd_1920375 (Springer-Verlag GmbH, Heidelberg, © 2016)

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