Inorganic Solid Phases

β-Hf₂N₂S (Hf₂SN₂ trig) Crystal Structure

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General Information

Phase Label(s): Hf₂SN₂ trig
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hP5
Space Group: 164
Phase Prototype: Ce₂SO₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Huber G670 (determination of structural parameters), X-rays, Mo Kα₁; λ = 0.070926 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): nitride, sulfide
Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, R_P = 0.0219; wR_P = 0.0313; R_B = 0.021
Sample Detail(s): sample prepared from α-HfNBr, Na₂S, trace amounts of β-Hf₂N₂S (P6₃/mmc polytype), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Hf₂SN₂
Alphabetic Formula: Hf₂N₂S
Published Formula: β-Hf₂N₂S
Refined Formula: Hf₂N₂S
Wyckoff Sequence: 164,d²a
Z Formula Units: 1
Density: ρ = 9.74 Mg·m⁻³

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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.
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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_1637141

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 β-Hf2N2S (Hf2SN2 trig) Crystal Structure sd_1637141 (Springer-Verlag GmbH, Heidelberg, © 2016)

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