Structural, electronic, and optical studies of BaRE2Ge3O10 (RE = Y, Sc, Gd–Lu) germanates with a special focus on the [Ge3O10]8− geometry. Issue 42 (11th October 2019)

• Record Type: Journal Article
• Authors: Lipina, Olga A.; Surat, Ludmila L.; Chufarov, Alexander Yu.; Tyutyunnik, Alexander P.; Enyashin, Andrey N.; Baklanova, Inna V.; Belova, Ksenia G.; Baklanova, Yana V.; Zubkov, Vladimir G.
• Is Part Of: CrystEngComm. Volume 21:Issue 42(2019)
• Page Start: 6491
• Page End: 6502
• Publication Date: 2019-10-11
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/c9ce01282f
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : A new series of BaRE2 Ge3 O10 trigermanates crystallizing in the monoclinic system (S.G. P 21 / m ) has been characterized by various methods. Abstract : A new series of BaRE2 Ge3 O10 (RE = Y, Sc, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) trigermanates has been prepared using a solid-state reaction. Powder XRD study has revealed that the compounds crystallize in the monoclinic system, space group P 21 / m, Z = 2. The crystal lattice consists of edge-sharing REO6 octahedra, bowed trigermanate [Ge3 O10 ] 8− groups, and Ba atoms located in eight-fold coordinated irregular sites. The geometry of [Ge3 O10 ] 8− anions persisting within different trigermanates has been examined with a special focus on the values of Ge–Ge–Ge angles and the types of conformation between the central and terminal GeO4 tetrahedra. The arrangement of [Ge3 O10 ] 8− anions in BaRE2 Ge3 O10 (RE = Y, Sc, Gd–Lu) crystal lattices is found to be unique. DFT calculations of different polymorphs for BaY2 Ge3 O10 and BaLa2 Ge3 O10 compounds have confirmed that our fabrication protocol yields all the products in their most thermodynamically stable forms. According to the results of vibrational spectroscopy studies, diffuse reflectance and photoluminescence measurements, the BaRE2 Ge3 O10 trigermanates are promising compounds for the preparation of efficient lanthanide ion activated phosphors.