Synthesis, Single‐Crystal Structure, Dielectric Properties of a New Phosphate K3Bi6.5(PO4)7.5,Crystal Research and Technology

当前位置： X-MOL 学术 › Cryst. Res. Technol. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Synthesis, Single‐Crystal Structure, Dielectric Properties of a New Phosphate K3Bi6.5(PO4)7.5
Crystal Research and Technology ( IF 1.5 ) Pub Date : 2021-03-22 , DOI: 10.1002/crat.202000228
Chiraz Falah _{1,

2} , Youssef Ben Smida ₃ , Nasr Sdiri _{2,

4} , Taoufik Soltani ₅

Affiliation

New potassium bismuth phosphate K₃Bi_6.5(PO₄)_7.5 has been synthesized by solid‐state reaction and characterized by single‐crystal X‐ray diffraction. This compound crystallizes in the monoclinic system, space group C2, with a = 17.637(8) Å, b = 6.9261(8) Å, c = 22.385(4)Å, β = 104.35(2)°, and Z = 4. The crystal structure model is supported by the two methods; the charge distribution (CHARDI) and bond valence sum (BVS). The crystal structure is made up of BiO_n (n = 5, 6, 7, 8) polyhedra and PO₄ tetrahedra sharing corners and edges to form a three‐dimensional anionic framework. The bond valence sum energy (BVSE) model of simulation shows that the potassium atoms move along [101] direction with a zigzag pathways form with an empirical activation energy of about 1.56 eV. The dielectric properties are carried out at room temperature and show high permittivity values with low dielectric loss.

中文翻译：

新型磷酸盐K3Bi6.5（PO4）7.5的合成，单晶结构和介电性能

通过固相反应合成了新的磷酸铋钾K ₃ Bi _6.5（PO ₄）_7.5，并通过单晶X射线衍射对其进行了表征。该化合物在单斜晶系空间群C 2中结晶，a = 17.637（8）Å，b = 6.9261（8）Å，c = 22.385（4）Å，β = 104.35（2）°，Z = 4两种方法都支持晶体结构模型：电荷分布（CHARDI）和键价和（BVS）。晶体结构由BiO _n（n = 5、6、7、8 ）多面体和PO _4组成四面体共享边角和边，以形成三维阴离子框架。模拟的键价和能量模型（BVSE）显示，钾原子以[Z]字形路径沿[101]方向移动，经验活化能约为1.56 eV。介电性能在室温下进行，并显示出高介电常数值和低介电损耗。

更新日期：2021-05-06

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11