During the synthetic exploration targeting the polycrystalline compound LK-99, an unexpected phase, Pb 5 (PO 4 ) 3 OH δ , was identified as a byproduct. We elucidated the composition of this compound through single-crystal X-ray diffraction analysis. Subsequent synthesis of the target compounds was achieved via high-temperature solid-state pellet reactions. The newly identified Pb 5 (PO 4 ) 3 OH δ has an orthorhombic crystal structure with space group Pnma , representing a unique structure differing from the hexagonal apatite phases of Pb 10 (PO 4 ) 6 O and Pb 5 (PO 4 ) 3 OH. Comprehensive temperature- and magnetic-field-dependent magnetization studies unveiled a temperature-independent magnetic characteristic of Pb 5 (PO 4 ) 3 OH δ . Solid-state nuclear magnetic resonance spectroscopy was employed to decipher the origins of the phase stability and confirm the presence of hydrogen atoms in Pb 5 (PO 4 ) 3 OH δ . These investigations revealed the presence of protonated oxygen sites, in addition to the interstitial water molecules within the structure, which may play critical roles in stabilizing the orthorhombic phase.

Mingyu Xu

Haozhe Wang

Cameron Vojvodin

Jayasubba Reddy Yarava

Tuo Wang

Weiwei Xie

Acta Crystallographica Section B Structural Science Crystal Engineering and Materials

ACTA CRYSTALLOGRAPHICA SECTION B: STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS 发表与最广泛意义上的化合物和材料结构科学相关的科学文章。了解原子的排列，包括它们的时间变化以及对温度和压力的依赖性，通常是理解物理和化学现象的关键，对于新材料和超分子器件的设计至关重要。 ACTA CRYSTALLOGRAPHICA B 是发表此类文稿的论坛。发表了基于实验研究以及基于理论方法的科学发展，包括晶体结构预测、结构-性质关系和晶体结构数据库的使用。

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials. Understanding the arrangement of atoms, including their temporal variations and dependencies on temperature and pressure, is often crucial for comprehending physical and chemical phenomena, and is essential for the design of new materials and supramolecular devices. Acta Crystallographica Section B serves as a forum for such research, covering scientific advancements based on both experimental studies and theoretical methods, including crystal structure prediction, structure-property relationships, and the use of crystal structure databases.

《Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials》发表与化合物和材料结构科学相关的科学文章。了解原子的排列及其随时间变化、温度和压力的依赖性，通常是理解物理和化学现象的关键，这对于新材料和超分子器件的设计至关重要。《Acta Crystallographica Section B》是发表此类研究的论坛，涵盖基于实验研究和理论方法的科学进展，包括晶体结构预测、结构-性质关系及晶体结构数据库的应用。

Category	Quartile
化学	3
化学, 晶体学	3
化学, 化学综合	4

Polymorphism of Pb₅(PO₄)₃OH_δ within the LK-99 mixture

ivySCI AI Smartly Parses PDF, Answers Researchers' Questions, and Helps You Understand Papers in Seconds

Journal Info

Polymorphism of Pb5(PO4)3OHδ within the LK-99 mixture

ivySCI AI Smartly Parses PDF, Answers Researchers' Questions, and Helps You Understand Papers in Seconds

Journal Info

Polymorphism of Pb₅(PO₄)₃OH_δ within the LK-99 mixture