A novel representative in the rare family of trivanadates, KMn2V3O10: synthesis, crystal structure and magnetic properties. Issue 1 (16th January 2018)

• Record Type: Journal Article
• Authors: Yakubovich, Olga; Shvanskaya, Larisa; Pchelkina, Zlata; Dimitrova, Olga; Volkov, Anatoliy; Volkova, Olga; Vasiliev, Alexander
• Is Part Of: Acta crystallographica. Volume 74:Issue 1(2018:Feb.)
• Page Start: 97
• Page End: 103
• Publication Date: 2018-01-16
• Subjects: crystal structure -- trivanadate -- anionic framework -- magnetic cluster
• DOI: 10.1107/S205252061701811X
• Languages: English
• ISSNs: 2052-5206

Abstract

Abstract : In the crystal structure of KMn2 V3 O10, tetramers of MnO6 octahedra sharing edges and trimers of VO4 tetrahedra sharing vertices are linked in a three‐dimensional framework with channels occupied by K 3+ ions. The novel representative in the rare family of trivanadates orders antiferromagnetically at T N = 8.2 K. Abstract : Potassium dimanganese trivanadate, KMn2 V3 O10, was synthesized hydrothermally and its crystal structure was determined from single‐crystal X‐ray diffraction data. The novel phase crystallizes with triclinic symmetry in space group with unit‐cell parameters of a = 6.912 (5), b = 6.993 (5), c = 9.656 (5) Å, α = 101.858 (5), β = 102.627 (5), γ = 100.669 (5)°, Z = 2 and V = 432.6 (5) Å 3 . Its structure is built from tetramers of MnO6 octahedra sharing edges and trimers of VO4 tetrahedra sharing vertices. These main structural fragments are linked in a three‐dimensional framework with channels occupied by potassium ions. The transformation of this structure to that of interconnected NaCa3 Mn(V3 O10 )(V2 O7 ) is discussed. The title compound orders antiferromagnetically at T N = 8.2 K due to the magnetic exchange interactions between tetramers of Mn octahedra through VO4 tetrahedra. First‐principles calculations show the magnetic couplings via Mn—O—Mn and Mn—O—V—O—Mn pathways.