Inorganic Solid Phases

Cs₂Ni(NH₂)₄·(NH₃) (Cs₂Ni[NH₂]₄[NH₃]) Crystal Structure

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General Information

Phase Label(s): Cs₂Ni[NH₂]₄[NH₃]
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mP32
Space Group: 14
Phase Prototype: Cs₂Ni[NH₂]₄[NH₃]
Measurement Detail(s): Straumanis film (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
Phase Class(es): –
Compound Class(es): amide
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 73 variables; 1488 reflections; F > 3σ(F), R = 0.045; wR = 0.052
Sample Detail(s): powder (determination of cell parameters), single crystal, 0.35×0.4×0.5 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Cs₂Ni[NH₂]₄[NH₃]
Alphabetic Formula: Cs₂[NH₂]₄[NH₃]Ni
Published Formula: Cs₂Ni(NH₂)₄·(NH₃)
Refined Formula: Cs₂H₁₁N₅Ni
Wyckoff Sequence: 14,e⁸
Z Formula Units: 4
Density: ρ = 2.96 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 B [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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Powder Pattern

published defraction line sin²(θ) [1]	computed diffraction line for Cu Kα d [nm]	intensity I [1]	h [1]	k [1]	l [1]	Radiation	Remark
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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_0542760

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 Cs2Ni(NH2)4·(NH3) (Cs2Ni[NH2]4[NH3]) Crystal Structure sd_0542760 (Springer-Verlag GmbH, Heidelberg, © 2016)

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