Inorganic Solid Phases

Ti₉Se₂ Crystal Structure

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General Information

Phase Label(s): Ti₉Se₂
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP22
Space Group: 55
Phase Prototype: Ti₉Se₂
Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Ag Kα; λ = 0.056086 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): selenide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F²; 36 variables; 593 reflections; I > 2σ(I), R = 0.0271; wR = 0.0635
Sample Detail(s): sample prepared from Ti, Se, energy-dispersive X-ray analysis; no significant amounts of Nb detected; trace amounts of Nb metal, single crystal (determination of cell parameters), single crystal, 0.075×0.125×0.125 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ti₉Se₂
Alphabetic Formula: Se₂Ti₉
Published Formula: Ti₉Se₂
Refined Formula: Se₂Ti₉
Wyckoff Sequence: 55,h³g²a
Z Formula Units: 2
Density: ρ = 5.28 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	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [nm²]
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Powder Pattern

published defraction line d [pm]	computed diffraction line for Cu Kα d [nm]	intensity I [1]	h [1]	k [1]	l [1]	Radiation	Remark
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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_1250432

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 Ti9Se2 Crystal Structure sd_1250432 (Springer-Verlag GmbH, Heidelberg, © 2016)

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