Premium
La 3 B 6 O 13 (OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO 4 Tetrahedra
Author(s) -
Fuchs Birgit,
Heymann Gunter,
Wang Xuefei,
Tudi Abudukadi,
Bayarjargal Lkhamsuren,
Siegel Renée,
Schmutzler Adrian,
Senker Jürgen,
JoachimMrosko Bastian,
Saxer Andreas,
Yang Zhihua,
Pan Shilie,
Huppertz Hubert
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201905419
Subject(s) - acentric factor , boron , crystallography , tetrahedron , crystal structure , lattice (music) , diffraction , space group , chemistry , x ray crystallography , materials science , physics , optics , organic chemistry , acoustics
La 3 B 6 O 13 (OH) was obtained by a high‐pressure/high‐temperature experiment at 6 GPa and 1673 K. The compound crystallizes in the space group P 2 1 (no. 4) with the lattice parameters a= 4.785(2), b= 12.880(4), c= 7.433(3) Å, and β =90.36(10)°, and is built up of corner‐ as well as edge‐sharing BO 4 tetrahedra. It represents the first acentric high‐pressure borate containing these B 2 O 6 entities. The compound develops borate layers of „sechser“‐rings with the La 3+ cations positioned between the layers. Single‐crystal and powder X‐ray diffraction, vibrational and MAS NMR spectroscopy, second‐harmonic generation (SHG) and thermoanalytical measurements, as well as computational methods were used to affirm the proposed structure and the B 2 O 6 entities.