Inorganic Solid Phases

Zn_0.9Sn_0.1Cr₂Se₄; (Zn_0.87Sn_0.048)Cr_2.02Se_4.00 (Zn_0.7Cr₂Sn_0.3Se₄) Crystal Structure

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General Information

Phase Label(s): Zn_0.7Cr₂Sn_0.3Se₄
Structure Class(es): spinel family
Classification by Properties: antiferromagnet AFM, semiconductor
Mineral Name(s): –
Pearson Symbol: cF56
Space Group: 227
Phase Prototype: MgAl₂O₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert PRO MPD PW3050 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters)
Phase Class(es): –
Compound Class(es): selenide
Interpretation Detail(s): complete structure determined, Rietveld refinement, wR_P = 0.116; R_B = 0.0536
Sample Detail(s): sample prepared from ZnSe, SnSe, Cr₂Se₃, inductive coupled plasma atomic emission spectroscopy; 12.46 wt.% Zn, 1.31 wt.% Sn, 21.95 wt.% Cr, 64.28 wt.% Se, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Zn_0.87Cr₂Sn_0.048Se₄
Alphabetic Formula: Cr₂Se₄Sn_0.048Zn_0.87
Published Formula: Zn_0.9Sn_0.1Cr₂Se₄; (Zn_0.87Sn_0.048)Cr_2.02Se_4.00
Refined Formula: Cr₂Se₄Sn_0.05Zn_0.87
Wyckoff Sequence: 227,ecb
Z Formula Units: 8
Density: ρ = 5.53 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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Anisotropic

Site	β₁₁ [nm²]	β₂₂ [nm²]	β₃₃ [nm²]	β₁₂ [nm²]	β₁₃ [nm²]	β₂₃ [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_1929303

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 Zn0.9Sn0.1Cr2Se4; (Zn0.87Sn0.048)Cr2.02Se4.00 (Zn0.7Cr2Sn0.3Se4) Crystal Structure sd_1929303 (Springer-Verlag GmbH, Heidelberg, © 2016)

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