Materials Science & Technology Division, Oak Ridge National Laboratory, P. O. Box 2008, Building 4100, 1 Bethel Valley Road, Oak Ridge, TN 37831-6056, USA.
Dalton Trans. 2012 Nov 7;41(41):12920-5. doi: 10.1039/c2dt31744c.
Crystals of a new intermetallic germanide Ba(2)Pd(5)Ge(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) Å, b = 14.1639(12) Å, and c = 5.8808(5) Å at 173(2) K. This structure type features a three-dimensional [Pd(5)Ge(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(2)Pd(5)Ge(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(2)Pd(5)Ge(4) is a good metal with no magnetic instability.
一种新的金属间化合物 Ba(2)Pd(5)Ge(4)的晶体已经从二元 PdGe 熔体中生长出来。单晶 X 射线衍射表明，该化合物在 Cmca 空间群中结晶为一种新的结构类型，在 173(2)K 时，a = 10.9296(9)Å, b = 14.1639(12)Å, c = 5.8808(5)Å。这种结构类型具有由扭曲四面体和平面正方形 PdGe(4)单元组成的三维[Pd(5)Ge(4)]网络，Ba 原子填充在空隙中。磁化率和电阻率测量表明，Ba(2)Pd(5)Ge(4)是一种 Pauli 顺磁体和金属，室温电阻率值 ρ(300 K)≈0.096 mΩ cm。能带结构计算证实，Ba(2)Pd(5)Ge(4)是一种没有磁不稳定性的良好金属。
