Inorganic Solid Phases

Mg_0.068TiS₂-c (Mg_0.25TiS₂) Crystal Structure

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General Information

Phase Label(s): Mg_0.25TiS₂
Structure Class(es): rocksalt family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF64
Space Group: 227
Phase Prototype: LiTiO₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα₁ (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wR_P = 0.102
Sample Detail(s): sample prepared from TiSi₂, [(C₄H₉)₂Mg], atomic absorption spectroscopy; Mg content analyzed: Mg_0.068TiS₂, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Mg_0.068TiS₂
Alphabetic Formula: Mg_0.068S₂Ti
Published Formula: Mg_0.068TiS₂-c
Refined Formula: Mg_0.05S₂Ti
Wyckoff Sequence: 227,edc
Z Formula Units: 16
Density: ρ = 3.25 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_1621975

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 Mg0.068TiS2-c (Mg0.25TiS2) Crystal Structure sd_1621975 (Springer-Verlag GmbH, Heidelberg, © 2016)

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