Issue 4, 2021

Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4

Abstract

Two series of new lanthanide thiophosphates with partial Ca occupancy of the Ln sites, Cs0.3(Ca0.3Ln0.7)PS4 (Ln = Ce, Pr, Nd, Sm, Gd, Tb, and Dy) and Cs0.5(Ca0.5Ln0.5)PS4 (Ln = Pr, Nd, Sm, Gd, and Tb), were synthesized using a CsI flux and structurally characterized. The first series with an idealized formula of Cs0.3(Ca0.3Ln0.7)PS4 crystallizes in the R[3 with combining macron]m space group and belongs to a new structure type that consists of a channel containing [(Ca0.3Ln0.7)PS4]0.3− framework, where the channels are occupied by severely disordered Cs+ cations. A second new series with formula Cs0.5(Ca0.5Ln0.5)PS4 crystallizes in the monoclinic C2/c space group and exhibits a layered structure consisting of [(Ca0.5Ln0.5)PS4]0.5− layers with Cs+ cations located between the layers for charge balance. Together with the parent structure type, LnPS4, these three structure types illustrate how the LnPS4 structure changes with Cs+ cation incorporation, reducing its dimensionality from 3D to 2D. The magnetic properties of Cs0.3[(Ca0.3Ce0.7)PS4] and Cs0.3[(Ca0.3Pr0.7)PS4] were studied and revealed no magnetic transition down to 2 K.

Graphical abstract: Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4

Supplementary files

Article information

Article type
Paper
Submitted
17 Oct 2020
Accepted
01 Dec 2020
First published
08 Dec 2020

CrystEngComm, 2021,23, 831-840

Author version available

Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4

V. V. Klepov, V. Kocevski, T. M. Besmann and H. zur Loye, CrystEngComm, 2021, 23, 831 DOI: 10.1039/D0CE01524E

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