Inorganic Solid Phases

Tl₂Mo₉Se₁₁ 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): Tl₂Mo₉Se₁₁
Structure Class(es): Chevrel phase
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hR132
Space Group: 148
Phase Prototype: Tl₂Mo₉S₁₁
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 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; 69 variables; 3156 reflections; I > 2σ(I), R = 0.043; wR = 0.086
Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.11×0.12×0.13 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Tl₂Mo₉Se₁₁
Alphabetic Formula: Mo₉Se₁₁Tl₂
Published Formula: Tl₂Mo₉Se₁₁
Refined Formula: Mo₉Se₁₁Tl₂
Wyckoff Sequence: 148,f⁶c⁴
Z Formula Units: 6
Density: ρ = 7.32 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

Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1125889

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 Tl2Mo9Se11 Crystal Structure sd_1125889 (Springer-Verlag GmbH, Heidelberg, © 2016)

Download this citation

Citation copied