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Crystal structure and magnetism in the S = 1/2 spin dimer compound NaCu2VP2O10.

ABSTRACT: The crystal structure of the spin dimer magnet NaCu2VP2O10 was determined using single-crystal X-ray diffraction and electron diffraction. NaCu2VP2O10 displayed a non-centrosymmetric orthorhombic C2221 structure with a = 6.13860?(10)?Å, b = 14.4846?(3)?Å and c = 8.2392?(2)?Å. The layered structure comprised CuO4 plaquettes, VO6 octahedra and PO4 tetrahedra. A pair of CuO4 plaquettes formed Cu2O6 structural dimers through edge sharing. The Cu-Cu network formed a distorted puckered-layer structure with pseudo-one-dimensional characteristics. Maximum magnetic susceptibility was observed at ?60?K and NaCu2VP2O10 became non-magnetic upon further cooling. The spin gap between the spin-singlet non-magnetic ground state and triplet excited state was estimated to be 43.4?K. Thus, NaCu2VP2O10 was assumed to be an alternating chain system with a singlet ground state of dimer origin. The V5+ ions in the VO6 octahedra showed large off-centre displacements along the [110] direction in the primitive perovskite structure, which were attributed to the pseudo-Jahn-Teller distortion of d 0 transition metals.

SUBMITTER: Urushihara D 

PROVIDER: S-EPMC7340267 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and magnetism in the <i>S</i> = 1/2 spin dimer compound NaCu<sub>2</sub>VP<sub>2</sub>O<sub>10</sub>.

Urushihara Daisuke D   Kawaguchi Sota S   Fukuda Koichiro K   Asaka Toru T  

IUCrJ 20200527 Pt 4

The crystal structure of the spin dimer magnet NaCu<sub>2</sub>VP<sub>2</sub>O<sub>10</sub> was determined using single-crystal X-ray diffraction and electron diffraction. NaCu<sub>2</sub>VP<sub>2</sub>O<sub>10</sub> displayed a non-centrosymmetric orthorhombic <i>C</i>222<sub>1</sub> structure with <i>a</i> = 6.13860 (10) Å, <i>b</i> = 14.4846 (3) Å and <i>c</i> = 8.2392 (2) Å. The layered structure comprised CuO<sub>4</sub> plaquettes, VO<sub>6</sub> octahedra and PO<sub>4</sub> tetrahedra. A  ...[more]

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