Preparation and Structure of a New Germanium Clathrate, Ba24Ge100
Preparation and Structure of a New Germanium Clathrate, Ba24Ge100
复制标题
新型锗包合物Ba24Ge100的制备和结构
DOI：
10.1006/jssc.2000.8632
复制
发表时间：
2000
影响因子：
5.4
通讯作者：
L. Häming
中科院分区：
文献类型：
--
作者：
H. Fukuoka;Kazuhito Iwai;S. Yamanaka;H. Abe;K. Yoza;L. Häming
摘要 在Ar气氛下，采用直拉拉法，在四电弧炉上合成了一种新型锗包合物Ba 24 Ge 100 单晶。通过X射线单晶分析研究了晶体结构。包合物在立方空间群P 4 1 32 中结晶，a = 14.5635(7) A，V = 3088.9(2) A 3 。使用 903 个独特反射进行的最终细化在 R = 0.032 和 R w = 0.036 处收敛。在该结构中，锗原子通过sp 3 σ键连接形成三维网络，其中包围着钡原子。钡原子有三个位点，具有不同的配位环境。一个位点位于Ge 20 十二面体中，其他位点分别与20个Ge原子和8个Ge原子配位。
Abstract Single crystals of a new germanium clathrate, Ba 24 Ge 100 , were synthesized by the Czochralsky pulling method using a tetra-arc furnace under an Ar atmosphere. The crystal structure was studied by X-ray single-crystal analysis. The clathrate crystallized in the cubic space group P 4 1 32 with a =14.5635(7) A, V =3088.9(2) A 3 . The final refinement using 903 unique reflections converged at R =0.032 and R w =0.036. In the structure, germanium atoms are linked by sp 3 σ -bonds to form a three-dimensional network, in which barium atoms are enclosed. There are three sites for the barium atoms having different coordination environments. One site is in a Ge 20 dodecahedron and the others are coordinated with 20 Ge atoms and 8 Ge atoms, respectively.