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Inorganic Crystal Structure Data to be Presented in a Form More Useful for Further Studies

Inorganic Crystal Structure Data to be Presented in a Form More Useful for Further Studies
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摘要 To make inorganic structure data more useful for further studies a five-point list of simple procedures to be followed by authors of crystal structure papers is proposed. 1. A crystal structure should be described with the space group corresponding to its true symmetry. 2. A new structure proposal should be tested, if it is realistic in principle. 3. A structure should be described with a space group in a setting given in the International Tables. 4. For a comparison with other structures the structure data should be standardized with the program STRUCTURE TIDY. 5. 揘ew?structure data should be checked in the databases, Chemical Abstracts or on-line internet resources, if they are really new. The list is supplemented with many explanations, commentaries, examples and references. To make inorganic structure data more useful for further studies a five-point list of simple procedures to be followed by authors of crystal structure papers is proposed. 1. A crystal structure should be described with the space group corresponding to its true symmetry. 2. A new structure proposal should be tested, if it is realistic in principle. 3. A structure should be described with a space group in a setting given in the International Tables. 4. For a comparison with other structures the structure data should be standardized with the program STRUCTURE TIDY. 5. 揘ew?structure data should be checked in the databases, Chemical Abstracts or on-line internet resources, if they are really new. The list is supplemented with many explanations, commentaries, examples and references.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2004年第10期1150-1160,共11页 结构化学(英文)
关键词 inorganic crystal structures standardization of structure data comparative crystal structure studies inorganic crystal structures,standardization of structure data,comparative crystal structure studies
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参考文献46

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