Synthesis, Crystal Structure, Magnetic Properties, and Electronic Structure of the New Ternary Vanadate CuMnVO₄

Abstract

A new magnetic oxide, CuMnVO4, was prepared, and its crystal structure was determined by single-crystal X-ray diffraction. The magnetic properties of CuMnVO4 were characterized by magnetic susceptibility and specific heat measurements, and the spin exchange interactions of CuMnVO4 were analyzed on the basis of spin-polarized electronic band structure calculations. CuMnVO4 contains MnO4 chains made up of edge-sharing MnO6 octahedra containing high-spin Mn2+ cations. Our work shows that CuMnVO4 undergoes a three-dimensional antiferromagnetic transition at approximately 20 K. Both the intrachain and interchain spin exchanges are antiferromagnetic, and the interchain spin exchange is not negligible compared to the intrachain spin exchange.

Evidence of “new hot spots” from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na3VO2B6O11

“…The distortions of the VO 4 tetrahedra are influenced not only by the electronic structure of cation V 5+ but also by the structure of the bond network, lattice in-commensuration, and cation-cation repulsion, 53,60 the probable reasons are as follows: (1) In the lattices, the metal V 5+ ions occupying the Wyckoff 4a positions employ the 4-fold T d site in the distorted tetrahedra environment of (VO 4 ) 3À , with a V-O bond length in the range of 1.6376-1.8557 Å. For comparison, a similar result was obtained for the VO 4 tetrahedron, where the mean value of 1.7265 Å (Table S1, ESI †) corresponds to the mean values found in vanadate, such as CrVO 4 , 61 1.7256 Å; InVO 4 , 62 1.7263 Å, In 0.6 Li 1.2 VO 4 , 63,64 1.7220 Å and CuMnVO 4 , 65 1.7290 Å. (2) The V-O( 12), V-O(13) distances of 1.6600 and 1.6610 Å are shorter than those of V-O(1) and V-O(2); 1.8460 and 1.7690 Å, respectively, as shown in Fig.…”

Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2– Versus (SeO3)2– Building Units in Solids

“…where x = J/k B T and μ 0 , N A , μ B , and k B have their usual meanings. To take into account the interdimer interactions, we used a mean field-type approximation 33,34 in which a dimer interacts with eight surrounding dimers with interdimer exchanges J inter ; two apical, above and below a given dimer within a chain as well as six dimers from the six adjacent chains.…”

Sodium Transition Metal Vanadates from Hydrothermal Brines: Synthesis and Characterization of NaMn4(VO4)3, Na2Mn3(VO4)3, and Na2Co3(VO4)2(OH)2

“…These vanadate oxyanions can coordinate magnetically active first‐row transition metals (i.e. Mn 2+/3+ , Co 2+ , Fe 2+/3+ ) to generate a rich assortment of structurally diverse and magnetically interesting compounds . These materials are generally synthesized at relatively high temperatures using traditional solid‐state techniques, such as melts or fluxes , .…”