Inorganic Solid Phases

Cs₆H₉Nb₃O₄₄SiW₉ (HCs₆Nb₃W₉[SiO₄]O₃₆[H₂O]₄) Crystal Structure

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General Information

Phase Label(s): HCs₆Nb₃W₉[SiO₄]O₃₆[H₂O]₄
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: tP284
Space Group: 138
Phase Prototype: HCs₆Nb₃W₉[SiO₄]O₃₆[H₂O]₄
Measurement Detail(s): automatic diffractometer; 270 (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 193(2) K (determination of cell parameters), T = 293(2) K (determination of structural parameters)
Phase Class(es): –
Compound Class(es): orthosilicate, oxide, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F²; 171 variables; 2251 reflections; I > 2σ(I), R = 0.0363; wR = 0.0906
Sample Detail(s): chemical analysis; 24.7 wt.% Cs, 7.40 wt.% Nb, 45.0 wt.% W, single crystal (determination of cell parameters), single crystal, 0.10×0.13×0.14 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: HCs₆Nb₃W₉[SiO₄]O₃₆[H₂O]₄
Alphabetic Formula: Cs₆H[H₂O]₄Nb₃O₃₆[SiO₄]W₉
Published Formula: Cs₆H₉Nb₃O₄₄SiW₉
Refined Formula: Cs₆H₈Nb_2.98O₄₄SiW_9.02
Wyckoff Sequence: 138,j¹²i⁹h²d
Z Formula Units: 4
Density: ρ = 4.98 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_1023744

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 Cs6H9Nb3O44SiW9 (HCs6Nb3W9[SiO4]O36[H2O]4) Crystal Structure sd_1023744 (Springer-Verlag GmbH, Heidelberg, © 2016)

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