Synthesis, Crystal Structure, Magnetic Property, and Electronic Structure of Ba₂YbInSe₅

Abstract

A new barium ytterbium indium selenide, Ba2YbInSe5, was obtained by conventional high temperature solid state reaction. The compound crystallizes in the noncentrosymmetric space group Cmc21 of the orthorhombic system. The structure contains infinite one‐dimensional anionic chains 1∞[YbInSe5]4–, which are built from YbSe6 octahedra and InSe4 tetrahedra and separated by Ba2+ cation. The magnetic measurement indicates that the compound is paramagnetic. In addition, the calculated bandgap is 0.29 eV.

Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties

“…The complete coordination environments of cations are shown in Figure C. The In atom is connected with four Se atoms in perfect tetrahedra geometry with In–Se interatomic distance of 2.525(1) Å, (Table ) a little shorter than those in Ba 4 AgInSe 6 (2.612(1) to 2.660(1) Å) and Ba 2 InYSe 5 (2.505(1) to 2.684(1) Å) . The 8-fold Ba1 atom is enjoined with six Se atoms and two Cl atoms to form bicapped trigonal prisms with two Cl atoms as caps.…”

“…The In atom is coordinated by four Se atoms to form tetrahedra with In−Se interatomic distances from 2.512(1) to 2.658(1) Å, (Table 4) comparable to those in 33 and Ba 2 InYSe 5 (2.505(1) to 2.684(1) Å). 34 The 8-fold Ba1 atom is connected by eight F atoms in quadrangular prism geometry, 9-fold Ba2 atom is surrounded by five Se atoms and four F atoms to generate tricapped trigonal prisms with two F atom and one Se atom as caps, while Ba3 and Ba4 atoms are enjoined by five Se atoms and three F atoms to generate bicapped trigonal prisms with one F atom and one Se atom as caps. The Ba−F band length is from 2.557(2) to 2.833(5) Å, much more dispersive than those of Ba 2 SnSe 3 F 2 (2.663(1) to 2.696(1) Å).…”

“…Again, the Cl atom is connected to Ba atom only in the Ba 3 InSe 4 Cl compound and the group IIIA element In is only 3) a little shorter than those in Ba 4 AgInSe 6 (2.612(1) to 2.660(1) Å) 33 and Ba 2 InYSe 5 (2.505(1) to 2.684(1) Å). 34 The 8-fold Ba1 atom is enjoined with six Se atoms and two Cl atoms to form bicapped trigonal prisms with two Cl atoms as caps. However, 8-fold Ba2 atom is connected with eight Se atoms in distorted square antiprism with torsion angle about 40°and identical Ba−Se interatomic distances.…”

“…Ba 4 AgInSe 6(2.612(1) to 2.660(1) Å)33 and Ba 2 InYSe 5 (2.505(1) to 2.684(1) Å) 34. The 8-fold Ba1 atom is connected by eight F atoms in quadrangular prism geometry, 9-fold Ba2 atom is surrounded by five Se atoms and four F atoms to generate tricapped trigonal prisms with two F atom and one Se atom as caps, while Ba3 and Ba4 atoms are enjoined by five Se atoms and three F atoms to generate bicapped trigonal prisms with one F atom and one Se atom as caps.…”

New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties

“…In earlier studies, we carried out systematic investigation in the quaternary A/M/ Ln /Q (A = alkaline-earth metal; M = group IIIA metals Ga or In; Ln = rare-earth element; Q = chalcogen) system, hoping that the introduction of alkaline-earth metal would help to increase the band gap and hence to increase the laser damage threshold for IR nonlinear optical (NLO) materials and avoid the two-photon absorption of the conventional 1 μm pumping source. As a result, a number of new compounds with the stoichiometry of Ba 2 Ln MQ 5 (M = Ga, In; Ln = rare-earth, Q = S, Se, Te) ,, and Ba 3 Ln InS 6 were obtained. They show four completely different structures and interesting magnetic properties.…”