Inorganic Solid Phases

[Co₃(CO)₉C](SCS)[Co₃(CO)₇S] (Co₆C₂S₃[CO]₁₆ orth) Crystal Structure

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General Information

Phase Label(s): Co₆C₂S₃[CO]₁₆ orth
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP212
Space Group: 62
Phase Prototype: Co₆C₂S₃[CO]₁₆
Measurement Detail(s): automatic diffractometer; 5 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα₁; λ = 0.07093 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.07093 nm (determination of structural parameters), T = 297 K (determination of structural parameters)
Phase Class(es): –
Compound Class(es): carbonyl, carbide, sulfide
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 241 variables; 777 reflections; F² > 2σ(F²), R = 0.056; wR = 0.049
Sample Detail(s): sample prepared from Co₂[CO]₈, CS₂, chemical analysis; 39.44 wt.% Co, 10.29 wt.% S, 23.82 wt.% C, single crystal (determination of cell parameters), single crystal, 0.08×0.15×0.25 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Co₆C₂S₃[CO]₁₆
Alphabetic Formula: C₂[CO]₁₆Co₆S₃
Published Formula: [Co₃(CO)₉C](SCS)[Co₃(CO)₇S]
Refined Formula: C₁₈Co₆O₁₆S₃
Wyckoff Sequence: 62,d²¹c¹¹
Z Formula Units: 4
Density: ρ = 2.03 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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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_1905313

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 [Co3(CO)9C](SCS)[Co3(CO)7S] (Co6C2S3[CO]16 orth) Crystal Structure sd_1905313 (Springer-Verlag GmbH, Heidelberg, © 2016)

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