- 著者
- Kengo OKA Wataru NISHIKI Miho TAKASU Naoki NOMA Mitsunobu IWASAKI
- 出版者
- The Ceramic Society of Japan
- 雑誌
- Journal of the Ceramic Society of Japan (ISSN:18820743)
- 巻号頁・発行日
- vol.130, no.1, pp.35-38, 2022-01-01 (Released:2022-01-01)
- 参考文献数
- 28
- 被引用文献数
- 1
The crystallographic parameters of fluoro-apatite A5(VO4)3F (A = Pb, Sr, and Ba) were refined by the Rietveld method. The refined parameters indicate that the F− anions in Pb5(VO4)3F occupy sites different from those in Sr5(VO4)3F and Ba5(VO4)3F. The F− anions in Pb5(VO4)3F are located around center of the Pb6 octahedra, while those for Sr5(VO4)3F and Ba5(VO4)3F are located around the center of Sr3 or Ba3 triangle. Our structural analysis suggested that this difference is attributed to the over-bonding state of F− anion in Pb5(VO4)3F. The electron density distribution for F− anions suggests the potential ionic conductivity along the c axis in Pb5(VO4)3F.
- 著者
- Katsuyoshi OH-ISHI Ryota KOBAYASHI Kengo OKA
- 出版者
- 公益社団法人 日本セラミックス協会
- 雑誌
- Journal of the Ceramic Society of Japan (ISSN:18820743)
- 巻号頁・発行日
- vol.125, no.5, pp.383-386, 2017-05-01 (Released:2017-05-01)
- 参考文献数
- 27
- 被引用文献数
- 9
We estimated site potentials for respective Li ions in the unit cell of Li4SiO4 crystal structure using the VESTA program and examined relation between the estimated site potentials and reactivity of the respective Li ions to CO2. Values of the estimated site potentials for the respective Li ions were distributed over a range of the shallowest level (−11.6 V) to the deepest level (−17.3 V). It is forecasted that the depth of these potentials would relate with reaction between CO2 and the respective Li ions in the unit cell of the Li4SiO4 crystal structure.