SHELXT– Integrated space-group and crystal-structure determination
نویسندگان
چکیده
منابع مشابه
SHELXT – Integrated space-group and crystal-structure determination
The new computer program SHELXT employs a novel dual-space algorithm to solve the phase problem for single-crystal reflection data expanded to the space group P1. Missing data are taken into account and the resolution extended if necessary. All space groups in the specified Laue group are tested to find which are consistent with the P1 phases. After applying the resulting origin shifts and spac...
متن کاملNi2As2O7 pyrochlore nanomaterial: Solid state synthesis, crystal structure determination, crystal phase growth study and physical properties
Nanostructured Ni2As2O7 semiconductor samples were synthesized by a solid state method among As2O3 and Ni(NO3)2.6H2O raw materials at 650 °C (S1) and 750 °C (S2) as reaction temperatures. The synthesized nanomaterials were characterized by powder X-ray diffraction (PXRD) technique and F...
متن کاملNi2As2O7 pyrochlore nanomaterial: Solid state synthesis, crystal structure determination, crystal phase growth study and physical properties
Nanostructured Ni2As2O7 semiconductor samples were synthesized by a solid state method among As2O3 and Ni(NO3)2.6H2O raw materials at 650 °C (S1) and 750 °C (S2) as reaction temperatures. The synthesized nanomaterials were characterized by powder X-ray diffraction (PXRD) technique and F...
متن کاملSynthesis, Characterization and Crystal Structure Determination of Copper (II) Complexes with 2,2′-Dimethyl-4,4′-bithiazole
Copper(II) complex [Cu(dmbt)2(H2O)](ClO4)2 (1) was prepared from the reaction of copper(II) perchlorate hexahydrate with 2,2'-dimethyl-4,4'-bithiazole (dmbt) ligand in methanol at ambient temperature. The complex was quantitatively and qualitatively characterized by elemental analysis, absorption and infrared spectrometries. Complex [Cu(DMSO)5](ClO4)2 (2) was also synt...
متن کاملCrystal Structure Determination: A Critical View
1 Introduction Structural information provided by X-ray crystallography has been a cornerstone of chemical research in the last few decades. However, the very importance and widespread use of the technique has created a problem for the chemist, who may not be a specialist crystallographer; how should he critically evaluate published crystal structures? There is an understandable tendency nowada...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2015
ISSN: 2053-2733
DOI: 10.1107/s2053273314026370