Electron Crystallography of CaMoO4 Using High Voltage Electron Microscopy

[摘要] The three-dimensional structure of an inorganic crystal, CaMoO4 (space group I 41/a, a = 5.198(69) A and c = 11.458(41) A), was determined by electron crystallography utilizing a high voltage electron microscope. An initial structure of CaMoO4 was determined with 3-D electron diffraction patterns. This structure was refined by crystallographic image processing of high resolution TEM images. X-ray crystallography of the same material was performed to evaluate the accuracy of the TEM structure determination. The cell parameters of CaMoO4 determined by electron crystallography coincide with the X-ray crystallography result to within 0.033-0.040 A, while the atomic coordinates were determined to within 0.072 A.

[学科分类] 化学（综合）

[关键词] CaMoO4;High voltage electron microscope;Electron crystallography;X-ray crystallography