A new layered potassium-based molybdenum–tungsten monophosphate: synthesis, crystal structure, XPS and magnetic studies

IF 0.9 4区材料科学 Q3 CRYSTALLOGRAPHY

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-09-01 DOI:10.1515/zkri-2023-0027

Meriem Goudjil, Giovanni Orazio Lepore, Paola Bonazzi, Djillali Mezaoui, Alessio Mezzi, Eleonora Bolli, Francesco Di Benedetto, Luca Bindi

引用次数: 0

Abstract

Abstract A new compound, K5[(Mo3.2W1.8)O11](PO4)3[(P0.5Mo0.5)O4], was synthesized via solid-state reaction and its crystal structure was determined by single-crystal X-ray diffraction. This compound crystallizes in the space group Pnma, with a = 9.0360(4) Å, b = 10.1603(4) Å, c = 26.1538(12) Å and V = 2401.14(18) Å3. The structure consists of a corner-sharing MO6–TO4 (M = Mo, W; T = P, Mo) polyhedral connection arranged to form an ordered packing of ∼14.9 Å-thick layers parallel to (001). The stacking of the layers forms trigonal, tetragonal and hexagonal channels. XPS study reveals the presence of W at the hexavalent state only, whereas Mo appears as a mixed-valent species (Mo6+, Mo5+ and Mo4+). Magnetic susceptibility reveals the occurrence of a relevant antiferromagnetic coupling and is consistent with the presence of reduced metal species as indicated by the XPS results.

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一种新型层状钾基单磷酸钼钨:合成、晶体结构、XPS和磁性研究

摘要采用固相反应合成了一种新化合物k5 [(Mo 3.2 W 1.8) o11](po4) 3 [(P 0.5 Mo 0.5) o4]，并用单晶x射线衍射测定了其晶体结构。该化合物结晶在Pnma空间群中，a = 9.0360(4) Å， b = 10.1603(4) Å， c = 26.1538(12) Å， V = 2401.14(18) Å 3。该结构由MO 6 ~ 4 (M = MO, W;T = P, Mo)多面体连接，排列形成平行于(001)的~ 14.9 Å-thick层的有序包装。层的堆叠形成三角形、四边形和六边形的通道。XPS研究表明，W仅以六价态存在，而Mo以混合价态存在(Mo 6+， Mo 5+和Mo 4+)。磁化率揭示了相关的反铁磁耦合的发生，并且与XPS结果表明的还原金属的存在一致。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Zeitschrift Fur Kristallographie-Crystalline Materials CRYSTALLOGRAPHY-

CiteScore

2.00

自引率

16.70%

发文量

期刊介绍： Zeitschrift für Kristallographie – Crystalline Materials was founded in 1877 by Paul von Groth and is today one of the world’s oldest scientific journals. It offers a place for researchers to present results of their theoretical experimental crystallographic studies. The journal presents significant results on structures and on properties of organic/inorganic substances with crystalline character, periodically ordered, modulated or quasicrystalline on static and dynamic phenomena applying the various methods of diffraction, spectroscopy and microscopy.