3D electron diffraction studies of synthetic rhabdophane (DyPO4·nH2O)

Ercin C. Duran; Mohamed Ruwaid Rafiuddin; Yazhou Shen; Simon A. Hunt; Anamul Haq Mir; Alexander S. Eggeman

doi:10.1107/S2053229624007885

3D electron diffraction studies of synthetic rhabdophane (DyPO₄·nH₂O)

Ercin C. Duran, Mohamed Ruwaid Rafiuddin, Yazhou Shen, Simon A. Hunt, Anamul Haq Mir, Alexander S. Eggeman^*

^*Corresponding author for this work

Department of Metallurgical and Materials Engineering

Research output: Contribution to journal › Article › peer-review

Abstract

In this study, we report the results of continuous rotation electron diffraction studies of single DyPO4·nH2O (rhabdophane) nanocrystals. The diffraction patterns can be fit to a trigonal lattice (P3121) with lattice parameters a = 7.019 (5) and c = 6.417 (5) Å. However, there is also a set of diffuse background scattering features present that are associated with a disordered superstructure that is double these lattice parameters and fits with an arrangement of water molecules present in the structure pore. Pair distribution function (PDF) maps based on the diffuse background allowed the extent of the water correlation to be estimated, with 2-3 nm correlation along the c axis and ∼5 nm along the a/b axis.

Original language	English
Pages (from-to)	612-619
Number of pages	8
Journal	Acta crystallographica. Section C, Structural chemistry
Volume	80
DOIs	https://doi.org/10.1107/S2053229624007885
Publication status	Published - 1 Oct 2024

Bibliographical note

Publisher Copyright:
© 2024 International Union of Crystallography. All rights reserved.

Keywords

3DED
crystal structure
dysprosium phosphate
electron diffraction
nanocrystal
rhabdophane
superstructure

Access to Document

10.1107/S2053229624007885

Cite this

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title = "3D electron diffraction studies of synthetic rhabdophane (DyPO4·nH2O)",

abstract = "In this study, we report the results of continuous rotation electron diffraction studies of single DyPO4·nH2O (rhabdophane) nanocrystals. The diffraction patterns can be fit to a trigonal lattice (P3121) with lattice parameters a = 7.019 (5) and c = 6.417 (5) {\AA}. However, there is also a set of diffuse background scattering features present that are associated with a disordered superstructure that is double these lattice parameters and fits with an arrangement of water molecules present in the structure pore. Pair distribution function (PDF) maps based on the diffuse background allowed the extent of the water correlation to be estimated, with 2-3 nm correlation along the c axis and ∼5 nm along the a/b axis.",

keywords = "3DED, crystal structure, dysprosium phosphate, electron diffraction, nanocrystal, rhabdophane, superstructure",

author = "Duran, {Ercin C.} and Rafiuddin, {Mohamed Ruwaid} and Yazhou Shen and Hunt, {Simon A.} and Mir, {Anamul Haq} and Eggeman, {Alexander S.}",

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T1 - 3D electron diffraction studies of synthetic rhabdophane (DyPO4·nH2O)

AU - Duran, Ercin C.

AU - Rafiuddin, Mohamed Ruwaid

AU - Shen, Yazhou

AU - Hunt, Simon A.

AU - Mir, Anamul Haq

AU - Eggeman, Alexander S.

PY - 2024/10/1

Y1 - 2024/10/1

N2 - In this study, we report the results of continuous rotation electron diffraction studies of single DyPO4·nH2O (rhabdophane) nanocrystals. The diffraction patterns can be fit to a trigonal lattice (P3121) with lattice parameters a = 7.019 (5) and c = 6.417 (5) Å. However, there is also a set of diffuse background scattering features present that are associated with a disordered superstructure that is double these lattice parameters and fits with an arrangement of water molecules present in the structure pore. Pair distribution function (PDF) maps based on the diffuse background allowed the extent of the water correlation to be estimated, with 2-3 nm correlation along the c axis and ∼5 nm along the a/b axis.

AB - In this study, we report the results of continuous rotation electron diffraction studies of single DyPO4·nH2O (rhabdophane) nanocrystals. The diffraction patterns can be fit to a trigonal lattice (P3121) with lattice parameters a = 7.019 (5) and c = 6.417 (5) Å. However, there is also a set of diffuse background scattering features present that are associated with a disordered superstructure that is double these lattice parameters and fits with an arrangement of water molecules present in the structure pore. Pair distribution function (PDF) maps based on the diffuse background allowed the extent of the water correlation to be estimated, with 2-3 nm correlation along the c axis and ∼5 nm along the a/b axis.

KW - 3DED

KW - crystal structure

KW - dysprosium phosphate

KW - electron diffraction

KW - nanocrystal

KW - rhabdophane

KW - superstructure

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