Inorganic Solid Phases

MgMo₆Se₈ (Mg_0.5Mo₃Se₄ rt) Crystal Structure

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General Information

Phase Label(s): Mg_0.5Mo₃Se₄ rt
Structure Class(es): Chevrel phase
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: aP16
Space Group: 2
Phase Prototype: Cu_0.9Mo₃S₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.1911 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): selenide
Interpretation Detail(s): complete structure determined, Rietveld refinement, R_B = 0.0562
Sample Detail(s): sample prepared from Mg, Mo₆Se₈, trace amounts of Mo, MgO, Mo₃Se₄ and MoSe₂, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Mg_0.5Mo₃Se₄
Alphabetic Formula: Mg_0.5Mo₃Se₄
Published Formula: MgMo₆Se₈
Refined Formula: Mg_0.50Mo₃Se₄
Wyckoff Sequence: 2,i⁸
Z Formula Units: 2
Density: ρ = 6.68 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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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_1522626

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 MgMo6Se8 (Mg0.5Mo3Se4 rt) Crystal Structure sd_1522626 (Springer-Verlag GmbH, Heidelberg, © 2016)

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