Inorganic Solid Phases

K₃Fe₂S₄ Crystal Structure

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General Information

Phase Label(s): K₃Fe₂S₄
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP36
Space Group: 62
Phase Prototype: Tl₃Fe₂S₄
Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Cu Kα₁ (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined, least-squares refinement; 593 reflections; I > 3σ(I), R = 0.038; wR = 0.047
Sample Detail(s): sample prepared from K₂CO₃, Fe, S, powder (determination of cell parameters), single crystal, 0.15×0.09×0.08 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: K₃Fe₂S₄
Alphabetic Formula: Fe₂K₃S₄
Published Formula: K₃Fe₂S₄
Refined Formula: Fe₂K₃S₄
Wyckoff Sequence: 62,d³c³
Z Formula Units: 4
Density: ρ = 2.61 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

Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1000533

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 K3Fe2S4 Crystal Structure sd_1000533 (Springer-Verlag GmbH, Heidelberg, © 2016)

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