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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Synthesis, crystal structure and properties of Li _2Cu _5(PO _4) _4
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Synthesis, crystal structure and properties of Li _2Cu _5(PO _4) _4

机译:Li _2Cu _5(PO _4)_4的合成,晶体结构与性能

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Li _2Cu ~II _5(PO _4) _4 has been obtained by various reactions starting from copper or Cu _2O. Crystallization was achieved using I _2 as oxidant and mineralizer. The new orthophosphate crystallizes in space group P1?, Z = 2, with a = 6.0502(3) ?, b = 9.2359(4) ?, c = 11.4317(5) ?, α = 75.584(2)°, β = 80.260(2)°, γ = 74.178(2)°, at 293 K. Its structure has been determined from X-ray single-crystal data and refined to R _1 = 0.022{wR _2 = 0.058 for 4633 unique reflections with F _o > 4σ (F _o)}. From magnetic measurements μ _(eff) = 1.51 μ _B/Cu and θ _P = -37.4 K have been determined. The Vis/NIR spectrum of aqua-green Li _2Cu _5(PO _4) _4 shows a single broad band centered around 1? = 12000 cm ~(-1). Magnetic behavior and spectrum are discussed within the angular overlap model.
机译:Li _2Cu〜II _5(PO _4)_4已通过各种反应从铜或Cu _2O开始获得。使用I _2作为氧化剂和矿化剂实现了结晶。新的正磷酸盐在空间群P1β中结晶,Z = 2,a = 6.0502(3)β,b = 9.2359(4)β,c = 11.4317(5)β,α= 75.584(2)°,β= 80.260 (2)°,在293 K时的γ= 74.178(2)°。已根据X射线单晶数据确定了其结构,并针对F _o> 4σ(F _o)}。从磁测量中,已经确定μ_(eff)= 1.51μ_B / Cu和θ_P = -37.4K。水绿色Li _2Cu _5(PO _4)_4的Vis / NIR光谱显示一个以1?为中心的宽带。 = 12000厘米〜(-1)。在角度重叠模型中讨论了磁行为和频谱。

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