P. Grima-Gallardo, S. Durán, M. Muñoz, D. P. Rai, Gerzon E. DELGADO
{"title":"(Cu0.4Al0.3)TaSe2:制备及x射线粉末衍射晶体结构分析","authors":"P. Grima-Gallardo, S. Durán, M. Muñoz, D. P. Rai, Gerzon E. DELGADO","doi":"10.48141/sbjchem.v28.n29.2020.01_delgado_pgs_01_06.pdf","DOIUrl":null,"url":null,"abstract":"A new phase of the (CuAlSe2)1-x(TaSe)x alloy system was synthesized by the melt and annealing technique and studied by SEM, DTA, and XRPD techniques. Its structure has been refined by the Rietveld method using X-ray powder diffraction data. The new alloy corresponds with the stoichiometry Cu0.4Al0.3TaSe2. This compound crystallizes in the hexagonal space group 𝑃6ത𝑚2 (Nº 187) with a MoS2-type structure, and unit cell parameters a = 3.455(2) Å, c = 13.423(4) Å, V = 138.7(1) Å3, Z =2. The crystal structure is based on the MoS2- type of stacking of TaSe2 layers with a partial ordering of Cu and Al cations over the tetrahedral sites. The powder pattern was composed of 63.1% of the principal phase Cu0.4Al0.3TaSe2 and 29.9% of CuAlSe2, 7.0% of TaSe3, as the secondary phases.","PeriodicalId":20606,"journal":{"name":"Proceedings of the SOUTHERN BRAZILIAN JOURNAL OF CHEMISTRY 2021 INTERNATIONAL VIRTUAL CONFERENCE","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2020-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"(Cu0.4Al0.3)TaSe2: PREPARATION AND CRYSTAL STRUCTURE ANALYSIS FROM X-RAY POWDER DIFFRACTION\",\"authors\":\"P. Grima-Gallardo, S. Durán, M. Muñoz, D. P. Rai, Gerzon E. DELGADO\",\"doi\":\"10.48141/sbjchem.v28.n29.2020.01_delgado_pgs_01_06.pdf\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A new phase of the (CuAlSe2)1-x(TaSe)x alloy system was synthesized by the melt and annealing technique and studied by SEM, DTA, and XRPD techniques. Its structure has been refined by the Rietveld method using X-ray powder diffraction data. The new alloy corresponds with the stoichiometry Cu0.4Al0.3TaSe2. This compound crystallizes in the hexagonal space group 𝑃6ത𝑚2 (Nº 187) with a MoS2-type structure, and unit cell parameters a = 3.455(2) Å, c = 13.423(4) Å, V = 138.7(1) Å3, Z =2. The crystal structure is based on the MoS2- type of stacking of TaSe2 layers with a partial ordering of Cu and Al cations over the tetrahedral sites. The powder pattern was composed of 63.1% of the principal phase Cu0.4Al0.3TaSe2 and 29.9% of CuAlSe2, 7.0% of TaSe3, as the secondary phases.\",\"PeriodicalId\":20606,\"journal\":{\"name\":\"Proceedings of the SOUTHERN BRAZILIAN JOURNAL OF CHEMISTRY 2021 INTERNATIONAL VIRTUAL CONFERENCE\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2020-12-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Proceedings of the SOUTHERN BRAZILIAN JOURNAL OF CHEMISTRY 2021 INTERNATIONAL VIRTUAL CONFERENCE\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.48141/sbjchem.v28.n29.2020.01_delgado_pgs_01_06.pdf\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Proceedings of the SOUTHERN BRAZILIAN JOURNAL OF CHEMISTRY 2021 INTERNATIONAL VIRTUAL CONFERENCE","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.48141/sbjchem.v28.n29.2020.01_delgado_pgs_01_06.pdf","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1
摘要
采用熔体和退火技术合成了一种新的(CuAlSe2)1-x(TaSe)x合金体系，并用SEM、DTA和XRPD技术对其进行了研究。利用x射线粉末衍射数据，用Rietveld方法对其结构进行了细化。新合金的化学计量量为Cu0.4Al0.3TaSe2。该化合物在六角形空间群𝑃6𝑚2 (Nº187)中结晶，具有二硫化钼型结构，晶胞参数a = 3.455(2) Å， c = 13.423(4) Å， V = 138.7(1) Å3, Z =2。晶体结构是基于MoS2-型的TaSe2层的堆叠，在四面体位点上有Cu和Al阳离子的部分排序。粉末形貌中，主相Cu0.4Al0.3TaSe2占63.1%，次相CuAlSe2占29.9%，TaSe3占7.0%。
(Cu0.4Al0.3)TaSe2: PREPARATION AND CRYSTAL STRUCTURE ANALYSIS FROM X-RAY POWDER DIFFRACTION
A new phase of the (CuAlSe2)1-x(TaSe)x alloy system was synthesized by the melt and annealing technique and studied by SEM, DTA, and XRPD techniques. Its structure has been refined by the Rietveld method using X-ray powder diffraction data. The new alloy corresponds with the stoichiometry Cu0.4Al0.3TaSe2. This compound crystallizes in the hexagonal space group 𝑃6ത𝑚2 (Nº 187) with a MoS2-type structure, and unit cell parameters a = 3.455(2) Å, c = 13.423(4) Å, V = 138.7(1) Å3, Z =2. The crystal structure is based on the MoS2- type of stacking of TaSe2 layers with a partial ordering of Cu and Al cations over the tetrahedral sites. The powder pattern was composed of 63.1% of the principal phase Cu0.4Al0.3TaSe2 and 29.9% of CuAlSe2, 7.0% of TaSe3, as the secondary phases.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
