A natural rutle sample was measured by in situ high-temperature X-ray diffraction(XRD)patterns,as well as Raman and Fourier transform infrared(FTIR).Crystal structure is refined on the sample with 1.4 mol.%Fe and 510&...A natural rutle sample was measured by in situ high-temperature X-ray diffraction(XRD)patterns,as well as Raman and Fourier transform infrared(FTIR).Crystal structure is refined on the sample with 1.4 mol.%Fe and 510±120 ppmw.H2 O.The unit-cell and Ti O6 octahedral volumes are expanded by 0.7%–0.8%for Fe3+incorporation,as compared with the reported Ti-pure samples.The volumetric thermal expansion coefficient(α,K-1)could be approximated as a linear function of T(K):4.95(3)×10-9×T+21.54(5)×10-6,with the averaged valueα0=30.48(5)×10-6 K-1,in the temperature range of 300–1500 K.The internal Ti-O stretching(A1 g and B2 g)and O-Ti-O bending(Eg)modes show‘red shift',whereas the multi-phonon process exhibits‘blue shift'at elevated temperature.The rotational mode(B1 g)for Ti O6 octahedra is nearly insensitive to temperature variations.The OH-stretching bands at 3279 and 3297 cm-1 are measured by high-temperature spectroscopy experiments.Both the IR-active and Raman-active OH-stretching modes shift to lower frequencies at higher temperature,with the signal intensities decreasing.And after quenching,we expect about 43%dehydration around 873 K,and 85%dehydration at 1273 K for this hydrous sample.展开更多
基金the National Key Research and Development Program of China(No.2016YFC0600204)the National Natural Science Foundation of China(Nos.41590621 and 41672041)。
文摘A natural rutle sample was measured by in situ high-temperature X-ray diffraction(XRD)patterns,as well as Raman and Fourier transform infrared(FTIR).Crystal structure is refined on the sample with 1.4 mol.%Fe and 510±120 ppmw.H2 O.The unit-cell and Ti O6 octahedral volumes are expanded by 0.7%–0.8%for Fe3+incorporation,as compared with the reported Ti-pure samples.The volumetric thermal expansion coefficient(α,K-1)could be approximated as a linear function of T(K):4.95(3)×10-9×T+21.54(5)×10-6,with the averaged valueα0=30.48(5)×10-6 K-1,in the temperature range of 300–1500 K.The internal Ti-O stretching(A1 g and B2 g)and O-Ti-O bending(Eg)modes show‘red shift',whereas the multi-phonon process exhibits‘blue shift'at elevated temperature.The rotational mode(B1 g)for Ti O6 octahedra is nearly insensitive to temperature variations.The OH-stretching bands at 3279 and 3297 cm-1 are measured by high-temperature spectroscopy experiments.Both the IR-active and Raman-active OH-stretching modes shift to lower frequencies at higher temperature,with the signal intensities decreasing.And after quenching,we expect about 43%dehydration around 873 K,and 85%dehydration at 1273 K for this hydrous sample.
