Inorganic Solid Phases

Pd_0.987Pt_0.013(SC(NH₂)₂)₄Cl₂ (Pt_0.013Pd_0.987Cl₂[CSN₂H₄]₄) Crystal Structure

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General Information

Phase Label(s): Pt_0.013Pd_0.987Cl₂[CSN₂H₄]₄
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mS76
Space Group: 15
Phase Prototype: (Pt_0.01Pd_0.99)Cl₂[CSN₂H₄]₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): chloride
Interpretation Detail(s): complete structure determined, 112 variables; I > 2σ(I), R = 0.027; wR = 0.026
Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.06×0.1×0.18 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Pt_0.013Pd_0.987Cl₂[CSN₂H₄]₄
Alphabetic Formula: [CSN₂H₄]₄Cl₂Pd_0.987Pt_0.013
Published Formula: Pd_0.987Pt_0.013(SC(NH₂)₂)₄Cl₂
Refined Formula: C₄Cl₂H₁₆N₈Pd_0.99Pt_0.01S₄
Wyckoff Sequence: 15,f⁹e
Z Formula Units: 4
Density: ρ = 1.92 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_1613370

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 Pd0.987Pt0.013(SC(NH2)2)4Cl2 (Pt0.013Pd0.987Cl2[CSN2H4]4) Crystal Structure sd_1613370 (Springer-Verlag GmbH, Heidelberg, © 2016)

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