Inorganic Solid Phases

Cs₈Zn₄Sn₄₂ (Cs₄Zn₂Sn₂₁, T = 180 K) Crystal Structure

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General Information

Phase Label(s): Cs₄Zn₂Sn₂₁
Structure Class(es): clathrate
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cP54
Space Group: 223
Phase Prototype: Na₄Si₂₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Tennessee, Oak Ridge National Laboratory ORNL, HFIR, HB-4 beamline (determination of structural parameters), neutrons; λ = 0.15005 nm (determination of cell and structural parameters), T = 180 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): intermetallic
Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, R = 0.0644; wR = 0.0787
Sample Detail(s): sample prepared from Cs, Sn, Zn, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Cs₄Zn₂Sn₂₁
Alphabetic Formula: Cs₄Sn₂₁Zn₂
Published Formula: Cs₈Zn₄Sn₄₂
Refined Formula: Cs₄Sn_21.80Zn_1.20
Wyckoff Sequence: 223,kidca
Z Formula Units: 2
Density: ρ = 5.90 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_1004638

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 Cs8Zn4Sn42 (Cs4Zn2Sn21, T = 180 K) Crystal Structure sd_1004638 (Springer-Verlag GmbH, Heidelberg, © 2016)

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