Rietveld analysis and Fourier maps of hydroxyapatite.
Rietveld analysis and Fourier maps of hydroxyapatite.
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羟基磷灰石的 Rietveld 分析和傅立叶图。
DOI：
10.1016/s0142-9612(97)00009-4
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发表时间：
1997
期刊：
影响因子：
14
通讯作者：
J. Takahashi
中科院分区：
文献类型：
--
作者：
M. Okazaki;M. Taira;J. Takahashi
将Rietveld分析应用于在80 °C和pH 7.4下合成的结晶良好的羟基磷灰石的X射线粉末衍射数据。Rietveld分析采用的最小二乘精化程序显示出与计算的轮廓良好的模式拟合。得到了a轴和c轴的尺寸，a = 0.943046 ± 0.000126 nm和c = 0.687485 ± 0.000104 nm，并与从单峰估计的数据进行了比较。由Rietveld分析得到的晶格尺寸更接近于单晶的值，a = 0.9432 nm和c = 0.6881 nm。还进行了傅立叶分析。电子密度图表达了羟基磷灰石晶体结构中组成羟基磷灰石的各原子存在的可能性。特别是柱状钙和螺旋轴钙显示清晰。这些数据与以前报道的羟基磷灰石的计算机图形模型一致。
Rietveld analysis was applied to the X-ray powder diffraction data of well-crystallized hydroxyapatites synthesized at 80 °C and pH 7.4. The least-squares refinement program adopted for Rietveld analysis showed good pattern fitting with the calculated profile. The a- and c-axis dimensions, a = 0.943046 ± 0.000126 nm and c = 0.687485 ± 0.000104 nm, were obtained and compared with the data estimated from a single peak. The lattice dimensions obtained by Rietveld analysis were much closer to the values of a single crystal, a = 0.9432 nm and c = 0.6881 nm. Fourier analysis was also performed. The maps of electron densities expressed the existing possibility of each atom composing hydroxyapatite in the crystal structure. In particular, columnar calcium and screw-axis calcium were clearly revealed. These data agreed well with the computer graphics model of hydroxyapatite reported previously.