Inorganic Solid Phases

Ba[Fe(NO)(CN)₅]·6.5H₂O (Ba₂Fe₂[CN]₁₀[NO]₂[H₂O]₁₃) Crystal Structure

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General Information

Phase Label(s): Ba₂Fe₂[CN]₁₀[NO]₂[H₂O]₁₃
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oS164
Space Group: 36
Phase Prototype: Ba₂Fe₂[CN]₁₀[NO]₂[H₂O]₁₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): cyanide, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 4657 reflections, wR = 0.029
Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.3×0.3×0.3 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ba₂Fe₂[CN]₁₀[NO]₂[H₂O]₁₃
Alphabetic Formula: Ba₂[CN]₁₀Fe₂[H₂O]₁₃[NO]₂
Published Formula: Ba[Fe(NO)(CN)₅]·6.5H₂O
Refined Formula: Ba₂C₁₀Fe₂H₂₆N₁₂O₁₅
Wyckoff Sequence: 36,b¹⁶a⁹
Z Formula Units: 4
Density: ρ = 2.02 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
Space Group	Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial
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

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_1409298

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 Ba[Fe(NO)(CN)5]·6.5H2O (Ba2Fe2[CN]10[NO]2[H2O]13) Crystal Structure sd_1409298 (Springer-Verlag GmbH, Heidelberg, © 2016)

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