Inorganic Solid Phases

Cs₂FeCl₅·H₂O (Cs₂FeCl₅[H₂O]) Crystal Structure

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General Information

Phase Label(s): Cs₂FeCl₅[H₂O]
Structure Class(es): –
Classification by Properties: antiferromagnet AFM
Mineral Name(s): –
Pearson Symbol: oS36
Space Group: 63
Phase Prototype: Cs₂RuCl₅[H₂O]
Measurement Detail(s): 28 (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): chloride, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F; 589 reflections; F² > 3σ(F²), R = 0.052; wR = 0.067
Sample Detail(s): chemical analysis; 0.43 wt.% H, 10.6 wt.% Fe, 33.8 wt.% Cl, single crystal (determination of cell and structural parameters)

Substance Summary

Standard Formula: Cs₂FeCl₅[H₂O]
Alphabetic Formula: Cl₅Cs₂Fe[H₂O]
Published Formula: Cs₂FeCl₅·H₂O
Refined Formula: Cl₅Cs₂FeH₂O
Wyckoff Sequence: 63,hc⁵
Z Formula Units: 4
Density: ρ = 3.30 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

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_1622011

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 Cs2FeCl5·H2O (Cs2FeCl5[H2O]) Crystal Structure sd_1622011 (Springer-Verlag GmbH, Heidelberg, © 2016)

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