Inorganic Solid Phases

Mg_0.8Cu_1.0Mo₆S₈ (Mg_0.4Cu_0.5Mo₃S₄) Crystal Structure

Get Access CIF Download help (pdf)

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

General Information

Phase Label(s): Mg_0.4Cu_0.5Mo₃S₄
Structure Class(es): Chevrel phase
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hR78
Space Group: 148
Phase Prototype: Mo₃Ni_1.25S₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, ID31 (determination of structural parameters), X-rays, synchrotron; λ = 0.035008 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined, Rietveld refinement, R = 0.0252; R_B = 0.0369
Sample Detail(s): sample prepared from Cu₂Mo₆S₈, Mg(AlCl₂BuEt)₂, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Mg_0.4Cu_0.5Mo₃S₄
Alphabetic Formula: Cu_0.5Mg_0.4Mo₃S₄
Published Formula: Mg_0.8Cu_1.0Mo₆S₈
Refined Formula: Cu_0.50Mg_0.38Mo₃S₄
Wyckoff Sequence: 148,f⁴c
Z Formula Units: 6
Density: ρ = 5.48 Mg·m⁻³

View 3D Interactive Structure

Cite this page

Citation

Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
Space Group	Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial
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.
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial

Experimental Details

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

Reference

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

3D Interactive Structure

Content available to subscribers
To view content, please Log in, contact your Springer representative, or get a free trial

About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1323830

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 Mg0.8Cu1.0Mo6S8 (Mg0.4Cu0.5Mo3S4) Crystal Structure sd_1323830 (Springer-Verlag GmbH, Heidelberg, © 2016)

Download this citation

Citation copied