Abstract
The structure of the new polar oxide, Cd2InVO6, was determined by powder X-ray diffraction. Cd2InVO6 crystallizes in space group P31 with the unit cell parameters: a = 12.218 96(4), c = 9.256 75(4) A. The Cd2+ and In3+ ions are statistically disordered in nine independent positions (M1−M9) with a certain level of site preference. M1−M3 form highly asymmetric oxygen-coordination polyhedra, which are similar to those formed by alkali or alkali-earth cations. M4−M9 are in distorted octahedral cavities. It is shown that M1−M3 are likely occupied mostly by Cd2+ while M4−M9 are extensively mixed by Cd2+ and In3+. The structure is best described as a framework of interconnected M4−M9 distorted octahedra with the M1−M3 polyhedra off-framework and the three independent VO4 tetrahedra filling the channels of the framework structure by corner-sharing with the MO6 octahedra. The polar framework is composed of M4O6∼M9O6 octahedra in a five-connected net with the topology nomination (33, 63, 94). The Bi3+-substituted c...
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