Crystal Structures of the PdBi Polymorphic Modifications from In Situ High-Temperature Single-Crystal X-ray Diffraction Data

IF 0.5 4区材料科学 Q4 CRYSTALLOGRAPHY

Crystallography Reports Pub Date : 2025-07-23 DOI:10.1134/S1063774524602983

O. V. Karimova, A. A. Zolotarev, A. A. Mezhueva, L. A. Ivanova, D. A. Chareev

引用次数: 0

Abstract

The transformation of the PdBi compound at high temperatures has been studied using in situ high-temperature single-crystal X-ray diffraction. New data on the crystal structure of the high-temperature PdBi modification have been obtained. The PdBi structure at T = 293, 373, 423, and 473 K is orthorhombic (sp. gr. Cmc2₁) with the lattice parameters a = 8.7160(3) Å, b = 7.2031(3) Å, c = 10.6631(4) Å, V = 669.45(4) Å³, and Z = 16 (293 K). Upon further heating, a phase transition to the high-temperature modification occurs. The PdBi structure at T = 523 and 573 K has been solved in the orthorhombic sp. gr. Cmcm, a = 3.6162(3) Å, b = 10.6446(8) Å, c = 4.4208(4) Å, V = 170.17(3) Å³, and Z = 4 (523 K).

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从原位高温单晶x射线衍射数据分析PdBi多晶修饰的晶体结构

利用原位高温单晶x射线衍射研究了PdBi化合物在高温下的转变。获得了高温PdBi改性晶体结构的新数据。PdBi在T = 293、373、423和473 K处为正交结构（sp. gr. Cmc21），晶格参数为a = 8.7160(3) Å， b = 7.2031(3) Å， c = 10.6631(4) Å， V = 669.45(4) Å3, Z = 16 （293 K）。进一步加热后，发生向高温改性的相变。在正交sp. gr. Cmcm中求解了T = 523和573 K处的PdBi结构，a = 3.6162(3) Å， b = 10.6446(8) Å， c = 4.4208(4) Å， V = 170.17(3) Å3, Z = 4 （523 K）。

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来源期刊

Crystallography Reports 化学-晶体学

CiteScore

1.10

自引率

28.60%

发文量

审稿时长

4-8 weeks

期刊介绍： Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.