Modulated Electron Density of Inorganic Compounds using SR

使用 SR 调制无机化合物的电子密度

• 批准号: 08044132
• 负责人: ISHIZAWA Nobuo
• 金额: $ 2.56万
• 依托单位: Tokyo Institute of Technology
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for international Scientific Research
• 财政年份: 1996
• 资助国家: 日本
• 起止时间: 1996 至 1997
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-08044132/
• 关键词: Synchrotron Diffraction; Electron Density; Modulated Structure; Functional Inorganic Compounds; Single Crystal Structure Analysis; Chemical Bonding; Precise Structure Analysis; 電子密度; 単結晶X線回折; 放射光; 消衰効果; 微小結晶

The present study has been carried out with the objective to determine modulated structures and electron densities of functional inorganic materials using synchrotron radiations. The precise analysis using the single crystal diffraction technique has so far been suffered from the extinction effect which often reduces the incident intensity expected from the kinematical theory. The present study seems to have succeeded in eliminating the problem from practical point of view, by the use of small crystal of about 10 micrometer in size and by the use of the synchrotron source with high flux. The results obtained are (a) determination of incommensurately modulated structure in the Ta_2O_5-WO_3, solid solution, (b) determination of the structure of Mg_6SO_2(OH)_<14> needle-shaped tiny crystals which can not be grown more than 100 micron in length and several micron in width, (c) electron density measurements on SmFeO_3, YFeO_3, HoFeO_3, C-type rare-earth sesquioxides, Y_2BaCuO_5 superconduction-related compound, LaOCl layred-type structure, LiNbO_3 and LiTaO_3 optoelectronic materials, a synthetic mineral of ferrian aluminian diopside, cobalt-containing olivine, (d) determination of compositely modulated structure of Nb_2Zr_<X-2>O_<2X-1> with x=8, (e) development of a fast X-ray counter using the avalanche-photo-diodes, etc. All these studies were done at the Photon Factory, High-Energy Physics Laboratory (KEK), Japan, in most cases, using the horizontal-type four-circle diffractometer at the beamline 14A.The head investigator now bears in mind a thought that this project has successfully conducted by the group members and the results have contributed to the scientific communities involved in the materials science and crystallography to a great extent.

本研究的目的是利用同步辐射确定功能无机材料的调制结构和电子密度。使用单晶衍射技术的精确分析迄今为止一直受到消光效应的影响，消光效应常常降低运动学理论所期望的入射强度。本研究从实用的观点出发，通过使用约10微米大小的小晶体和使用高通量的同步辐射源，似乎成功地解决了这个问题。（a）确定了Ta_2O_5-WO_3固溶体的非线性调制结构;（B）确定了Mg_6SO_2（OH）_2<14>针状微晶的结构，这种微晶不能生长超过100微米长，几微米宽;（c）测量了SmFeO_3，YFeO_3，HoFeO_3，C型稀土倍半氧化物，Y_2BaCuO_5超导相关化合物、LaOCl层状结构、LiNbO_3和LiTaO_3光电材料、铁铝透辉石合成矿物、含钴橄榄石、Nb_2Zr_O_3（x=8）复合调制结构的测定<X-2><2X-1>、雪崩光电二极管快速X射线计数器的研制等。高能物理实验室（KEK），日本，在大多数情况下，使用水平型四圆衍射仪在光束线14 A。首席研究员现在记住一个想法，这个项目已经成功地进行了小组成员和结果在很大程度上有助于科学界参与材料科学和晶体学。

项目成果

丸茂 文幸・石沢 伸夫: "遷移金属化合物の電子密度分布をみる" 日本結晶学会誌. 39. 115-120 (1997)

Fumiyuki Marumo 和 Nobuo Ishizawa：“观察过渡金属化合物的电子密度分布”日本晶体学会杂志 39. 115-120 (1997)。

E.N.Maslen: "A Synchrotron X-ray Study of the Electron Density in SmFeO_3" Acta Crystallographica B. 52・3. 406-413 (1996)

E.N.Maslen：“SmFeO_3 中电子密度的同步加速器 X 射线研究”《晶体学报》B. 52・3 (1996)。

R.Hsu et al.: "Synchrotron X-ray Studies of LiNbO_3 and LiTa_3" Acta Cryst. 1353・3. 420-428 (1997)

R.Hsu 等：“LiNbO_3 和 LiTa_3 的同步加速器 X 射线研究”Acta Cryst 1353・3 420-428（1997）。

S.Schmid, J.G.Thompson, R.L.ithers, V.Petricek, N.Ishizawa & S.Kishimoto: "Re-refinement of Composite Modulated Nb_2Zr_<X-2>O_<2X+1> (x=8) Using Synchrotron Radiation Data" Acta Cryst.B53[6]. 851-860 (1997)

S.Schmid、J.G.Thompson、R.L.ithers、V.Petricek、N.Ishizawa

N.Ishizawa: "Measurement of Charge Densities in Inorganic Materials Using Syunchrotron Radiation" Proceedings of the 4th Sino-Japanese Joint Seminar on Crystallography. 103-108 (1996)

N.Ishizawa：“利用同步辐射测量无机材料中的电荷密度”第四届中日晶体学联合研讨会论文集。