...
首页> 外文期刊>Acta crystallographica. Section A, Foundations and advances. >On the combinatorics of crystal structures: number of Wyckoff sequences of given length
【24h】

On the combinatorics of crystal structures: number of Wyckoff sequences of given length

机译:晶体结构的组合:号码官员的Wyckoff称序列的长度

获取原文
获取原文并翻译 | 示例
           

摘要

A formula for the calculation of the number of Wyckoff sequences of a given length is presented, based on the combinatorics of multisets with finite multiplicities and a generating function approach, assuming a certain space‐group type and taking into account the number of non‐fixed and fixed Wyckoff positions, respectively. The formula is applied to the 44 distinguishable combinatorial types of the 230 space‐group types. A comparison is made between the calculated frequencies of occurrence of Wyckoff sequences of given space‐group type and length and the observed ones for actual crystal structures, as retrieved from the Pearson's Crystal Data Crystal Structure Database for Inorganic Compounds.
机译:数量的计算公式Wyckoff给定长度的序列,基于多重集的组合有限的多样性和母函数方法,假设一个特定的地理空间类型和组考虑到非固定和应承担的数量官员固定Wyckoff称位置,分别。公式应用于44的地理空间组合类型的230组类型。之间进行了比较计算官员的频率发生Wyckoff称序列鉴于地理空间组织类型和长度实际观察到的晶体结构,从皮尔森的晶体数据检索晶体无机化合物结构数据库。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号