A single crystal neutron diffraction study of diaspore, AlO(OH)
A single crystal neutron diffraction study of diaspore, AlO(OH)
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一水硬铝石 Al2O(OH) 的单晶中子衍射研究
DOI：
10.1107/s0365110x58002243
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发表时间：
1958
期刊：
影响因子：
--
通讯作者：
H. A. Levy
中科院分区：
文献类型：
--
作者：
W. Busing;H. A. Levy
对水硬铝石进行了单晶中子衍射研究，测量了 hkO 和 Okl 区域的 90 次反射强度。通过 X 射线粉末法重新确定的晶胞尺寸及其标准误差为 a = 4.401 正负 0.001，b = 9.421 正负 0.004，c = 2.845 正负 0.001 A。使用每个原子的各向异性温度因子，通过最小二乘法对结构进行精修。这样得到的Al和0位置参数与Hoppe报道的X射线结果非常吻合。 Ewing (1935) 假设的氢键被证实。 H原子位于距0/sub/ II/ 0.990 A处，但不在0/sub I/和0/sub II/之间的中心线上。相反，0/sub II/-H 键与 0/sub II/-0/sub I/ 向量形成 12.1 角。 （授权）
A single-crystal neutron-diffraction study of diaspore has been made in which the intensities of ninety reflections of the hkO and Okl zones were measured. Unitcell dimensions and their standard errors as redetermined by the x- ray powder method are a = 4.401 plus or minus 0.001, b = 9.421 plus or minus 0.004, and c = 2.845 plus or minus 0.001 A. The structure was refined by the method of least squares using an anisatropic temperature factor for each atom. The Al and 0 position parameters obtained in this way are in good agreement with the x-ray results reported by Hoppe. The hydrogen bonding postulated by Ewing (1935) was confirmed. The H atom is located 0.990 A from 0/sub/ II/, but is not on the line of centers between 0/sub I/ and 0/sub II/. Instead the 0/sub II/-H bond makes an angle of 12.1 with the 0/sub II/-0/sub I/ vector. (auth)