Inorganic Solid Phases

2NH₄⁺·B₁₀H₁₀²⁻·1.5H₂O (H₂₀[NH₄]₄B₂₀[H₂O]₃, T = 150 K) Crystal Structure

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General Information

Phase Label(s): H₂₀[NH₄]₄B₂₀[H₂O]₃
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mP108
Space Group: 14
Phase Prototype: H₂₀[NH₄]₄B₂₀[H₂O]₃
Measurement Detail(s): automatic diffractometer; 10211 (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 = 150 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): borane, hydrate
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 412 variables; 3637 reflections; I > 2σ(I), R = 0.045; wR = 0.121
Sample Detail(s): sample prepared from [H₃O]₂B₁₀H₁₀, NH₃, single crystal (determination of cell parameters), single crystal, 0.12×0.31×0.38 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: H₂₀[NH₄]₄B₂₀[H₂O]₃
Alphabetic Formula: B₂₀H₂₀[H₂O]₃[NH₄]₄
Published Formula: 2NH₄⁺·B₁₀H₁₀²⁻·1.5H₂O
Refined Formula: B₂₀H₄₂N₄O₃
Wyckoff Sequence: 14,e²⁷
Z Formula Units: 4
Density: ρ = 1.04 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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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_1629798

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 2NH4+·B10H102−·1.5H2O (H20[NH4]4B20[H2O]3, T = 150 K) Crystal Structure sd_1629798 (Springer-Verlag GmbH, Heidelberg, © 2016)

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