Syntheses and Patterns of Changes in Structural Parameters of the New Quaternary Tellurides EuCuTe ( = Ho, Tm, and Sc): Experiment and Theory.

The layered orthorhombic quaternary tellurides EuCuTe ( = Ho, Tm, Sc) with symmetry were first synthesized. Single crystals of the compounds up to 500 μm in size were obtained by the halide-flux method at 1120 K from elements taken in a ratio of Eu//Cu/Te = 1:1:1:3. In the series of compounds, the changes in lattice parameters were in the ranges = 4.

Synthesis, Crystal Structure, and Optical and Magnetic Properties of the New Quaternary Erbium Telluride EuErCuTe: Experiment and Calculation.

This paper reports for the first time on a new layered magnetic heterometallic erbium telluride EuErCuTe. Single crystals of the compound were obtained from the elements at 1120 K using CsI as a flux. The crystal structure of EuErCuTe was solved in the space group ( = 4.

Single Crystals of EuScCuSe: Synthesis, Experimental and DFT Investigations.

EuScCuSe was synthesized from the elements for the first time by the method of cesium-iodide flux. The crystal belongs to the orthorhombic system () with the unit cell parameters = 3.9883(3) Å, = 13.

A Challenge toward Novel Quaternary Sulfides SrLnCuS (Ln = La, Nd, Tm): Unraveling Synthetic Pathways, Structures and Properties.

We report on the novel heterometallic quaternary sulfides SrLnCuS (Ln = La, Nd, Tm), obtained as both single crystals and powdered samples. The structures of both the single crystal and powdered samples of SrLaCuS and SrNdCuS belong to the orthorhombic space group but are of different structural types, while both samples of SrTmCuS crystallize in the orthorhombic space group with the structural type KZrCuS. Three-dimensional crystal structures of SrLaCuS and SrNdCuS are formed from the (Sr/Ln)S capped trigonal prisms and CuS tetrahedra.

Quaternary Selenides EuLnCuSe: Synthesis, Structures, Properties and In Silico Studies.

In this work, we report on the synthesis, in-depth crystal structure studies as well as optical and magnetic properties of newly synthesized heterometallic quaternary selenides of the EuLnCuSe composition. Crystal structures of the obtained compounds were refined by the derivative difference minimization (DDM) method from the powder X-ray diffraction data. The structures are found to belong to orthorhombic space groups (structure type BaMnS for EuLaCuSe and structure type EuCuS for EuLnCuSe, where Ln = Sm, Gd, Tb, Dy, Ho and Y) and (structure type KZrCuS for EuLnCuSe, where Ln = Tm, Yb and Lu).

Data on vibrational spectra of the langasites LnCrGeBeO (Ln = La, Pr, Nd) and calculations.

In "Lattice dynamics and structure of the new langasites LnCrGeBeO (Ln = La, Pr, Nd): vibrational spectra and calculations" [1], experimental and calculated results on lattice dynamics of the recently discovered new compounds LaCrGeBeO, PrCrGeBeO, and NdCrGeBeO are reported. These compounds belong to the langasite series and constitute a new class of low-dimensional antiferromagnets. The data presented in this article includes IR diffuse transmission spectra of powder samples of LnCrGeBeO (Ln = La, Pr, Nd) registered at room temperature with a Bruker 125HR Fourier spectrometer, Raman spectra taken in the backscattering geometry (also at room temperature) with a triple monochromator using the line 514, 5 nm of an argon laser as an excitation, results of the DFT calculations with the B3LYP and PBE0 hybrid functionals on the optimized crystal structures, eigenfrequencies and eigenvectors of the normal vibrational modes.