Inorganic Solid Phases

KNbWO₆·0.69D₂O (K_0.5Nb_0.5W_0.5O₃[D₂O]_0.345) Crystal Structure

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General Information

Phase Label(s): K_0.5Nb_0.5W_0.5O₃[D₂O]_0.345
Structure Class(es): pyrochlore family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF128
Space Group: 227
Phase Prototype: K_0.5(Nb_0.5W_0.5)O₃[H₂O]_0.35
Measurement Detail(s): automatic diffractometer (determination of structural parameters), neutrons (determination of structural parameters)
Phase Class(es): –
Compound Class(es): oxide, hydrate-D
Interpretation Detail(s): complete structure determined, full-profile refinement, R_P = 0.0447; wR_P = 0.0560; R_B = 0.0574
Sample Detail(s): powder (determination of structural parameters)

Substance Summary

Standard Formula: K_0.5Nb_0.5W_0.5O₃[D₂O]_0.345
Alphabetic Formula: [D₂O]_0.345K_0.5Nb_0.5O₃W_0.5
Published Formula: KNbWO₆·0.69D₂O
Refined Formula: D_0.70K_0.50Nb_0.50O_3.35W_0.50
Wyckoff Sequence: 227,fe²d
Z Formula Units: 16
Density: ρ = 4.88 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_1252719

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 KNbWO6·0.69D2O (K0.5Nb0.5W0.5O3[D2O]0.345) Crystal Structure sd_1252719 (Springer-Verlag GmbH, Heidelberg, © 2016)

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