Inorganic Solid Phases

Cu_2−xMg_xV₂O₇, x= ²/₃ (Mg_0.5Cu_1.5[V₂O₇]) Crystal Structure

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General Information

Phase Label(s): Mg_0.5Cu_1.5[V₂O₇]
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mS44
Space Group: 15
Phase Prototype: Cu₂[P₂O₇]
Measurement Detail(s): automatic diffractometer; Philips-STOE PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
Phase Class(es): –
Compound Class(es): divanadate
Interpretation Detail(s): complete structure determined, least-squares refinement; 1163 reflections, R = 0.048
Sample Detail(s): sample prepared from MgCO₃, CuO, V₂O₅, energy-dispersive X-ray analysis; Cu, Mg and V content analyzed; amounts of Cu_1.5Mg_0.5V₂O₇, single crystal, 0.03×0.05×0.05 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Mg_0.67Cu_1.33[V₂O₇]
Alphabetic Formula: Cu_1.33Mg_0.67[V₂O₇]
Published Formula: Cu_2−xMg_xV₂O₇, x= ²/₃
Refined Formula: Cu_1.33Mg_0.67O₇V₂
Wyckoff Sequence: 15,f⁵e
Z Formula Units: 4
Density: ρ = 3.56 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 B [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_1711267

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 Cu2−xMgxV2O7, x= 2/3 (Mg0.5Cu1.5[V2O7]) Crystal Structure sd_1711267 (Springer-Verlag GmbH, Heidelberg, © 2016)

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