Construction of crystal structure prototype database: methods and applications
نویسندگان
چکیده
منابع مشابه
Construction of crystal structure prototype database: methods and applications.
Crystal structure prototype data have become a useful source of information for materials discovery in the fields of crystallography, chemistry, physics, and materials science. This work reports the development of a robust and efficient method for assessing the similarity of structures on the basis of their interatomic distances. Using this method, we proposed a simple and unambiguous definitio...
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SYNTHESIS AND CRYSTAL STRUCTURE OF [PPh ] [WOS (CUNCS) ]
The reaction of [PPhJ, NOS,] with CuCl and KSCN (1 :3:3) in acetone produces the yell-ow crystals of [PPh,], [WOS,(CuNCS),]. The crystals are triclinic, space group P1(2), z=2, a=12.4823(7), b=12.9224(7), c=18.6395(10)?, ?=83.907(5), ?= 73.152(4), Y= 65.194(4)'. The crystal structure was determined by single crystal Xray diffraction methods (Mo-K ?) and refined by least-squares calculations ...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2017
ISSN: 0953-8984,1361-648X
DOI: 10.1088/1361-648x/aa63cd