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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >LiZn_(4-x) (x = 0.825) as a (3 + 1)-dimensional modulated derivative of hexagonal close packing
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LiZn_(4-x) (x = 0.825) as a (3 + 1)-dimensional modulated derivative of hexagonal close packing

机译：LiZn_（4-x）（x = 0.825）作为六方密堆积的（3 +1）维调制导数

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摘要

The (3+1)-dimensional modulated structure of the LiZn_(4-x) (x = 0.825) binary compound has been determined in the superspace. The compound crystallizes in the orthorhombic superspace group Cmcm(α00)0s0 with a = 2.7680 (6), b = 4.7942 (6), c = 4.3864 (9) ?, modulation wavevector: q ’ 4/7a*. The structure is a derivative from the hexagonal close packing. The cubo-octahedron as a coordination polyhedron (c.n. = 12) is typical for all atoms. Bonding between atoms is explored by means of the TB-LMTO-ASA program package. The absence of strong interatomic interactions in LiZn_(4-x) is the main reason for the possible structure transformations.
机译：LiZn_（4-x）（x = 0.825）二元化合物的（3 + 1）维调制结构已在超空间中确定。该化合物在正交晶体超空间群Cmcm（α00）0s0中结晶，其a = 2.7680（6），b = 4.7942（6），c = 4.3864（9）？，调制波矢：q’4 / 7a *。该结构是六方密堆积的衍生。立方八面体作为配位多面体（c.n. = 12）对于所有原子都是典型的。通过TB-LMTO-ASA程序包探索原子之间的键合。 LiZn_（4-x）中缺乏强原子间相互作用是可能的结构转变的主要原因。

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