The hydride fluoride crystal structure database, HFD

Article Article scientifique Article The hydride fluoride crystal structure database, HFD eng 1997 author Gingl Franz Joséf 27639 author Gelato Louise Marie 26410 author Yvon Klaus 25146 286-290 10.1016/S0925-8388(96)02999-4 0925-8388 https://linkinghub.elsevier.com/retrieve/pii/S0925838896029994 HFD is a new data base containing crystal structure information on more than one thousand metal hydrides and fluorides. It includes space group, cell parameters, standardized atom positions, site occupancies and references. The compilation is critical as only refined crystal structures are considered and the data are checked for internal consistency. It is comprehensive as structural information is extracted from all major scientific journals, and it is continuously updated. HFD can be searched according to various criteria such as symmetry, chemical elements, composition etc. The primary motivation for creating HFD was to predict new metal hydrides and to study their structural analogies with metal fluorides. However, HFD can also be used for other applications such as the simulation of diffraction patterns and the drawing of crystal structures. Dewey 500.2 33 Département de physique de la matière quantique 131 false Journal of Alloys and Compounds 253-254 a04590ed-2de9-44fc-8bf3-9667b22bb63d Article (Published version) Restricted 1-s2.0-S0925838896029994-main.pdf 884768 application/pdf restrictedAccess Faculté des sciences / Section de physique / Département de physique de la matière quantique

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The hydride fluoride crystal structure database, HFD	Journal of Alloys and Compounds			1997	283	0

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Gelato, Louise Marie