Na3Sc(PO4)2: Thermal behaviors, distorted β-K2SO4-type structure and dielectric properties

IF 3.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Solid State Sciences Pub Date : 2024-07-25 DOI:10.1016/j.solidstatesciences.2024.107635

Yu. Yu. Dikhtyar , A.V. Mosunov , S.M. Posokhova , O.V. Baryshnikova , B.I. Lazoryak , V.A. Morozov

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Abstract

The Na₃Sc(PO₄)₂ (NSPO) compound was obtained by solid-state synthesis method and has a new type of distorted β-K₂SO₄ (arcanite) crystal structure that was refined based on powder XRD data in the space group (SG) P2₁/c, with unit cell parameters: a = 11.5533(1) Å, b = 5.31759(5) Å, c = 16.7650(2) Å, β = 97.6439(6)°. The NSPO is a metastable phase with an optimal synthesis temperature range between 1173 and 1233 K. When a mixture of Na₂CO₃, NH₄H₂PO₄ and Sc₂O₃ is annealed below this temperature range, the NaSICON-type compound and Na-polyphosphates is formed. However, annealing above T∼1245 K leads to the decomposition onset into the NaSICON-type compound (Na₃Sc₂(PO₄)₃), Na₃PO₄ and terminates at T∼1289 K. NSPO phase is dielectric with σ_bulk = 4.4 × 10⁻⁷ S/cm at 300 K. Increasing the temperature from 300 to 1000 K leads to an increase in σ_bulk by four orders (σ_bulk = 5.6 × 10⁻³ S/cm at 1000 K).

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Na3Sc（PO4）2：热行为、β-K2SO4 型扭曲结构和介电性质

根据粉末 XRD 数据，Na3Sc(PO4)2 (NSPO)化合物具有新型扭曲的 β-K2SO4 (arcanite)晶体结构，其空间群（SG）为 P21/c，单胞参数为：a = 11.5533(1)埃，b = 5.31759(5)埃，c = 16.7650(2)埃，β = 97.6439(6)°。当 Na2CO3、NH4H2PO4 和 Sc2O3 的混合物在此温度范围以下退火时，会形成 NaSICON 型化合物和 Na 聚磷酸盐。NSPO 相在 300 K 时为介电质，σbulk = 4.4 × 10-7 S/cm。将温度从 300 K 升高到 1000 K 会导致σbulk 增加四个数量级（1000 K 时 σbulk = 5.6 × 10-3 S/cm）。

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来源期刊

Solid State Sciences 化学-无机化学与核化学

CiteScore

6.60

自引率

2.90%

发文量

214

审稿时长

27 days

期刊介绍： Solid State Sciences is the journal for researchers from the broad solid state chemistry and physics community. It publishes key articles on all aspects of solid state synthesis, structure-property relationships, theory and functionalities, in relation with experiments. Key topics for stand-alone papers and special issues: -Novel ways of synthesis, inorganic functional materials, including porous and glassy materials, hybrid organic-inorganic compounds and nanomaterials -Physical properties, emphasizing but not limited to the electrical, magnetical and optical features -Materials related to information technology and energy and environmental sciences. The journal publishes feature articles from experts in the field upon invitation. Solid State Sciences - your gateway to energy-related materials.