Inorganic Solid Phases

(NH₄)[Li(NH₃)₄][P(NH₂)S₃]·NH₃ (Li[NH₄]PS₃[NH₂][NH₃]₅ lt, T = 123 K) Crystal Structure

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General Information

Phase Label(s): Li[NH₄]PS₃[NH₂][NH₃]₅ lt
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: aP24
Space Group: 2
Phase Prototype: Li[NH₄]PS₃[NH₂][NH₃]₅
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 123 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): amide, sulfide
Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement on F²; 149 variables; I > 2σ(I), R = 0.031; wR = 0.098
Sample Detail(s): sample prepared from P₄S₁₀, Li, single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: Li[NH₄]PS₃[NH₂][NH₃]₅
Alphabetic Formula: Li[NH₂][NH₃]₅[NH₄]PS₃
Published Formula: (NH₄)[Li(NH₃)₄][P(NH₂)S₃]·NH₃
Refined Formula: H₂₁LiN₇PS₃
Wyckoff Sequence: 2,i¹²
Z Formula Units: 2
Density: ρ = 1.28 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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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_1708624

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 (NH4)[Li(NH3)4][P(NH2)S3]·NH3 (Li[NH4]PS3[NH2][NH3]5 lt, T = 123 K) Crystal Structure sd_1708624 (Springer-Verlag GmbH, Heidelberg, © 2016)

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