It is well known that in pyroxene structure, there are two metal sites, M1 and M2.Generally speaking, ferrous iron in each of these sites would normally be expected to give rise to a doublet. However, anomies have bee...It is well known that in pyroxene structure, there are two metal sites, M1 and M2.Generally speaking, ferrous iron in each of these sites would normally be expected to give rise to a doublet. However, anomies have been found in the relative areas of the peaks in the room temperature spectra of some clinopyroxene (CPX) when the above assigninent is folowed. Ac-cording to the calculation of Next Nearest Neighbor configurations of divalent cations in M1,we found that the four configurations of M1 can be divided into two groups. One group is 3Ca configuration that increases with the content of Ca (p. f. u); the other group is made up of three No-3Ca configurations that decrease with the content of Ca. The two groups contribute to the spectrum structure of M1, so in this study we fit two doublets for ferrous iron in M1.Though there were severa reports on Fe3+ in tetrahedral site previously, it wa not sure that Fe3+ occupies the T site is a universal fact in CPX, despite of the content of A1. We found that the Fe3+ in the T site fitted by Medauer spectroscopy is negatively correlated to the Si content in the T site and positively correlated to the Fe3 + in the T site estimated on the suppo-sition that Fe3+ and Al occupy the T site randomly. If it is true, it is important in the model-ing of ion exchange geobarometries and gepthermornetries.展开更多
Three synthetic Fe3+ bearing λ-Fe2SiO4 were analyzed using electron probe method, and the M?ssbauer spectra of the samples at 298 K, 150 K, and 95 K were measured. Each spectrum at three temperatures is composed of t...Three synthetic Fe3+ bearing λ-Fe2SiO4 were analyzed using electron probe method, and the M?ssbauer spectra of the samples at 298 K, 150 K, and 95 K were measured. Each spectrum at three temperatures is composed of two doublets. These two doublets are assigned to Fe2+ in the octahedral sites and Fe3+ in the tetrahedral sites, respectively. Site occupancies were determined. The results show that Fe3+ and a small amount of Si4+ are in the tetrahedral and octahedral sites, respectively. The average bond lengths of the octahedral and tetrahedral sites were calculated according to the equations primarily given by Hill et al., O’Neill and Navrotsky and modified by the authors. Furthermore, the octahedral and tetrahedral bond lengths were used to calculate cell parameters and oxygen parameters. In addition, Fe3+ line broadening in the M?ssbauer spectra of Fe3+ bearing λ-Fe2SiO4 were interpreted by using the next nearest neighbor effects展开更多
We studied four tourmalines with different Fe contents from Xinjiang,Sichuan,and Yunnan provinces of China using Mossbauer spectroscopy and single crystal X-ray diffraction.The valence and location of Fe in the four t...We studied four tourmalines with different Fe contents from Xinjiang,Sichuan,and Yunnan provinces of China using Mossbauer spectroscopy and single crystal X-ray diffraction.The valence and location of Fe in the four tourmalines and two heat-treated tourmalines have been investigated.The experimental results showed that Fe in the four tourmalines at room temperature had two valence states and two locations,i.e.Fe2＋（Y）,Fe2＋（Z）,Fe3＋（Y）.After being heated at 850℃ for 48 and 72 h,Fe elements in tourmaline were nearly completely oxidized and mainly occupied Y sites,and a small amount of Fe3＋ shifted to Z sites.Simultaneously,the amount of mixed valence state Fe 2.5＋ progressively increased with heating time,and electron delocalization occurred between the adjacent sites [Fe2＋-Fe3＋].展开更多
文摘It is well known that in pyroxene structure, there are two metal sites, M1 and M2.Generally speaking, ferrous iron in each of these sites would normally be expected to give rise to a doublet. However, anomies have been found in the relative areas of the peaks in the room temperature spectra of some clinopyroxene (CPX) when the above assigninent is folowed. Ac-cording to the calculation of Next Nearest Neighbor configurations of divalent cations in M1,we found that the four configurations of M1 can be divided into two groups. One group is 3Ca configuration that increases with the content of Ca (p. f. u); the other group is made up of three No-3Ca configurations that decrease with the content of Ca. The two groups contribute to the spectrum structure of M1, so in this study we fit two doublets for ferrous iron in M1.Though there were severa reports on Fe3+ in tetrahedral site previously, it wa not sure that Fe3+ occupies the T site is a universal fact in CPX, despite of the content of A1. We found that the Fe3+ in the T site fitted by Medauer spectroscopy is negatively correlated to the Si content in the T site and positively correlated to the Fe3 + in the T site estimated on the suppo-sition that Fe3+ and Al occupy the T site randomly. If it is true, it is important in the model-ing of ion exchange geobarometries and gepthermornetries.
基金the National Natural Science Foundation of China(Grant No.40072019)the Japan Society for the Promotion of Science(JSPA)
文摘Three synthetic Fe3+ bearing λ-Fe2SiO4 were analyzed using electron probe method, and the M?ssbauer spectra of the samples at 298 K, 150 K, and 95 K were measured. Each spectrum at three temperatures is composed of two doublets. These two doublets are assigned to Fe2+ in the octahedral sites and Fe3+ in the tetrahedral sites, respectively. Site occupancies were determined. The results show that Fe3+ and a small amount of Si4+ are in the tetrahedral and octahedral sites, respectively. The average bond lengths of the octahedral and tetrahedral sites were calculated according to the equations primarily given by Hill et al., O’Neill and Navrotsky and modified by the authors. Furthermore, the octahedral and tetrahedral bond lengths were used to calculate cell parameters and oxygen parameters. In addition, Fe3+ line broadening in the M?ssbauer spectra of Fe3+ bearing λ-Fe2SiO4 were interpreted by using the next nearest neighbor effects
基金supported by National Natural Science Foundation of China(Grant No. 40672031)
文摘We studied four tourmalines with different Fe contents from Xinjiang,Sichuan,and Yunnan provinces of China using Mossbauer spectroscopy and single crystal X-ray diffraction.The valence and location of Fe in the four tourmalines and two heat-treated tourmalines have been investigated.The experimental results showed that Fe in the four tourmalines at room temperature had two valence states and two locations,i.e.Fe2＋（Y）,Fe2＋（Z）,Fe3＋（Y）.After being heated at 850℃ for 48 and 72 h,Fe elements in tourmaline were nearly completely oxidized and mainly occupied Y sites,and a small amount of Fe3＋ shifted to Z sites.Simultaneously,the amount of mixed valence state Fe 2.5＋ progressively increased with heating time,and electron delocalization occurred between the adjacent sites [Fe2＋-Fe3＋].
