Inorganic Solid Phases

Ag₂P₂S₆ (AgPS₃) Crystal Structure

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General Information

Phase Label(s): AgPS₃
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mS20
Space Group: 12
Phase Prototype: AgPS₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined, least-squares refinement; 795 reflections; I > 2σ(I), R = 0.033
Sample Detail(s): sample prepared from Ag, P, S, single crystal (determination of cell parameters), single crystal, 0.10×0.10×0.12 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: AgPS₃
Alphabetic Formula: AgPS₃
Published Formula: Ag₂P₂S₆
Refined Formula: AgPS₃
Wyckoff Sequence: 12,i³hg
Z Formula Units: 4
Density: ρ = 3.69 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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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_1901643

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 Ag2P2S6 (AgPS3) Crystal Structure sd_1901643 (Springer-Verlag GmbH, Heidelberg, © 2016)

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