Crystal and electronic structures of metallic Ba _2Pd 5Ge _4

Saparov B.; Parker D.S.; Sefat A.S.

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Crystal and electronic structures of metallic Ba _2Pd 5Ge _4

机译：金属Ba _2Pd 5Ge _4的晶体和电子结构

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Crystals of a new intermetallic germanide Ba _2Pd 5Ge _4 have been grown out of a binary PdGe flux. Single crystal X-ray diffraction reveals that the compound crystallizes in a novel structure type in the Cmca space group, with a = 10.9296(9) ?, b = 14.1639(12) ?, and c = 5.8808(5) ? at 173(2) K. This structure type features a three-dimensional [Pd _5Ge _4] network made of distorted tetrahedral and square planar PdGe _4 units, with Ba atoms filling the voids. The magnetic susceptibility and the electrical resistivity measurements show that Ba _2Pd _5Ge _4 is a Pauli paramagnet and a metal with the room temperature resistivity value of ρ(300 K) ≈ 0.096 mΩ cm. The band structure calculations confirm that Ba _2Pd _5Ge _4 is a good metal with no magnetic instability.

机译：一种新的金属间锗化物Ba _2Pd 5Ge _4的晶体已经从二元PdGe助熔剂中生长出来。单晶X射线衍射表明该化合物在Cmca空间群中以新颖的结构类型结晶，a ＝ 10.9296（9）δ，b ＝ 14.1639（12）δ，c ＝ 5.8808（5）δ。在173（2）K。这种结构类型的特征是由扭曲的四面体和方形平面PdGe _4单元构成的三维[Pd _5Ge _4]网络，其中Ba原子填充了空隙。磁化率和电阻率测量结果表明，Ba _2Pd _5Ge _4是保利顺磁体和室温电阻率值为ρ（300 K）≈0.096mΩcm的金属。能带结构计算证实Ba _2Pd _5Ge _4是一种良好的金属，没有磁不稳定。

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《Dalton transactions: An international journal of inorganic chemistry》 |2012年第41期|共6页
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Saparov B.; Parker D.S.; Sefat A.S.;
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Crystal and electronic structures of metallic Ba _2Pd 5Ge _4

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