P. Grima-Gallardo, S. Durán, M. Muñoz, D. P. Rai, Gerzon E. DELGADO
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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.
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