A novel structural type of hexagonal closest packing the ternary oxide, β-MnSb2O6

MnSb2O6: A Polar Magnet with a Chiral Crystal Structure

“…Seven nearest-neighbor (NN) supersuper-exchange (SSE) interactions, calculated using abinitio density functional theory (DFT), yield a magnetic ground state and propagation vector in good agreement with experiment. Furthermore, MnSb 2 O 6 is predicted to be weakly polar and a multiferroic of an unusual kind, since reversing the electric field would result in a switch between single-and two-domain configurations.Trigonal MnSb 2 O 6 is structurally related to sodium fluosilicate [6,7]. The lattice is populated by a basis of edge-sharing MnO 6 and SbO 6 distorted octahedra, which form interleaved layers of isolated manganese triangular plaquettes (Figure 1a, referred to as "triangles" hereafter) and depleted honeycomb lattices of antimony ions (Figure 1b) stacked along the c-axis at z = 0 and z = 1 2 , respectively (Figure 1c).Manganese is the only magnetic ion in the crystal, and adopts a valence of 2+ giving a high spin, S = 5 2 , and orbitally quenched, L ≃ 0, moment.…”

A Comparative Study of GaAsO4 Polymorphs: ab initio Calculations on High-pressure Forms

“…It can be observed that the quartz polymorph is effectively predicted as the thermodynamically stable phase below 1.4 GPa. Noteworthy, the CrVO 4 type is not stable at any pressure, as was found in a previous DFT investigation [8], though some experimental works reported the preparation of this form at 4 ∼ 7 GPa [5]. At higher pressures the rutile and/or the Vegas forms are stable, the enthalpy lines being indistinguishable in Fig.…”

“…but also important differences (there are no octahedral chains as in rutile); in what follows we call this phase the Vegas polymorph, after the name of one of the authors [7]. To our knowledge, there only exists one more example of this structure although with different stoichiometry, the ternary oxide of formula β -MnSb 2 O 6 reported by Vincent et al [8]. Probably, more compounds with this new structure remain to be discovered.…”

Phase Chemistry in the Ca‐Mn‐Sb‐O System at 1160–1250 °C

“…This oxide has a marokite structure and is generally referred to as a post-spinel phase crystallizing in an orthorhombic syngony. [3] At low temperatures, several compounds with mixed manganese valence have been synthesized (CaMn [4,19,20,21] and Mn…”

“…According to the literature, [19] [20] Mn 2 Sb 2 O 7 has a trigonal 3T-weberite structure above 900°C [20] (its composition corresponds to the formula Mn 2 Sb 2 O 6.75 [21] ) and a cubic pyrochlore structure. [22] 6 were produced under hydrothermal conditions.…”