Crystal structure of BaMnB2O5 containing structurally isolated manganese oxide sheets

Acta Crystallogr E Crystallogr Commun. 2016 Aug 19;72(Pt 9):1315-1320. doi: 10.1107/S2056989016013074. eCollection 2016 Sep 1.

Abstract

In an attempt to search for mixed alkaline-earth and transition metal pyroborates, the title compound, barium manganese(II) pyroborate, has been synthesized by employing a flux method. The structure of BaMnB2O5 is composed of MnO5 square pyramids that form Mn2O8 dimers by edge-sharing and of pyroborate units ([B2O5]4-) that are composed of two corner-sharing trigonal-planar BO3 units. These building blocks share corners to form 2[MnB2O5]2- layers extending parallel to (100). The Ba2+ cations reside in the gap between two manganese pyroborate slabs with a coordination number of nine. The title compound forms an inter-esting spiral framework propagating along the 21 screw axis. The structure is characterized by two alternating layers, which is relatively rare among known transition-metal-based pyroborate compounds.

Keywords: bond-valence-sum calculations; crystal structure; inter­planar angle; layered framework; pyroborates.