K2TeP2O8: a new telluro-phosphate with a pentagonal Te–P–O layer structure†,Dalton Transactions

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K2TeP2O8: a new telluro-phosphate with a pentagonal Te–P–O layer structure†
Dalton Transactions ( IF 3.5 ) Pub Date : 2018-06-19 00:00:00 , DOI: 10.1039/c8dt01576g
Ming Wen _{1,

2,

3,

4} , Cong Hu _{5,

6,

7,

8,

9} , Zhihua Yang _{5,

6,

7,

8,

9} , Xiaohong Wu _{1,

2,

3,

4} , Shilie Pan _{1,

2,

3,

4,

5}

Affiliation

A new telluro-phosphate K₂TeP₂O₈ was synthesized by a high temperature solution method. It crystallizes in the orthorhombic space group P2₁2₁2 and features a [TeP₂O₈]²⁻ layer structure, which is the first layer structure built by Te–O and P–O groups among the telluro-phosphates. More interestingly, the layer structure in K₂TeP₂O₈ is nearly pentagonal. First-principles theoretical calculations suggest that K₂TeP₂O₈ possesses a large birefringence compared to phosphates. Furthermore, IR spectra, UV-vis-NIR diffuse reflectance spectroscopy data, thermal behavior, and electronic structure calculations were studied.

中文翻译：

K ₂ TeP ₂ O ₈：一种具有五边形Te–P–O层结构的新型碲酸磷酸盐†

通过高温溶液法合成了一种新的碲酸磷酸盐K ₂ TeP ₂ O ₈。它在正交晶体空间群P 2 ₁ 2 ₁ 2中结晶，并具有[TeP ₂ O ₈ ] ^2-层结构，这是由碲酸磷酸盐中的Te-O和P-O基团建立的第一层结构。更有趣的是，K ₂ TeP ₂ O _8中的层结构几乎是五边形。第一性原理计算表明，K ₂ TeP ₂ O ₈与磷酸盐相比具有较大的双折射。此外，还研究了红外光谱，紫外可见近红外漫反射光谱数据，热行为和电子结构计算。

更新日期：2018-06-19

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