BaAlPO <sub>4</sub> F <sub>2</sub> : structure and properties of the first barium fluoroaluminophosphate with the mixed anion group [Al <sub>2</sub> PO <sub>8</sub> F <sub>5</sub> ]
Mixed-anionic compounds are attractive candidates for probing optical crystals due to their interesting physicochemical properties. Herein, the first barium fluoroaluminophosphate, BaAlPO<sub>4</sub>F<sub>2</sub>, was synthesized for the first time by high temperature reactions in a closed system. In its structure, the [PO<sub>4</sub>] group bonds with [Al<sub>2</sub>O<sub>6</sub>F<sub>5</sub>] dimers to form the unusual [Al<sub>2</sub>PO<sub>5</sub>F<sub>4</sub>]<sub>∞</sub> 2D layers and the Ba<sup>2+</sup> cations reside in the interlayer space. This paper discusses the flexibility and diversity of the P-O and Al-O/F assembly structures, which provides a research direction for exploring new structural materials. In addition, first-principles calculations on BaAlPO<sub>4</sub>F<sub>2</sub> were also performed to investigate the relationship between its crystal structure and optical properties.
Authors
- Kaitong Liu
- Xiaofeng Gu (ORCID: https://orcid.org/0000-0002-5560-6419)
- Yanhui Zhang (ORCID: https://orcid.org/0000-0003-2079-1762)
- Jiajia Li (ORCID: https://orcid.org/0000-0002-8609-900X)
- Yaqing Ding
Institutions
- Xinjiang Normal University (CN)
Publication Details
- Journal
- Dalton Transactions
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5dt02249e
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.00