Inorganic Solid Phases

Cd(NH₂CSNHNH₂)(SCN)₂ (Cd[SCN]₂[CSN₃H₅]) Crystal Structure

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General Information

Phase Label(s): Cd[SCN]₂[CSN₃H₅]
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP48
Space Group: 19
Phase Prototype: Cd[SCN]₂[CSN₃H₅]
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): thiocyanate
Interpretation Detail(s): positions of non-H atoms determined, block-diagonal least-squares refinement; 899 reflections; F > 3σ(F), R = 0.035
Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.3 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Cd[SCN]₂[CSN₃H₅]
Alphabetic Formula: [CSN₃H₅]Cd[SCN]₂
Published Formula: Cd(NH₂CSNHNH₂)(SCN)₂
Refined Formula: C₃CdH₅N₅S₃
Wyckoff Sequence: 19,a¹²
Z Formula Units: 4
Density: ρ = 2.17 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_1721594

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 Cd(NH2CSNHNH2)(SCN)2 (Cd[SCN]2[CSN3H5]) Crystal Structure sd_1721594 (Springer-Verlag GmbH, Heidelberg, © 2016)

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