本人前段时间测得高能球磨后粉末的XRD图谱,计算了晶格常数值,但不知道看计算后的报告。下面是原始报告:请达人能指点,介绍下里面的重要信息。
USER: user
JADE: Cell Refinement Report
DATE: Thursday, Nov 05, 2009 07:44p
FILE: [80h5(20-95).txt] DX-2000 CSC 40kV/30mA Slit:1deg&1deg&0.2mm Monochromator: ON 1-2Theta
SCAN: 20.0/95.0017/0.04/1(sec), Cu, I(max)=308, 10-02-09 18:20
PEAK: 19-pts/Parabolic Filter, Threshold=3.0, Cutoff=0.1%, BG=3/1.0, Peak-Top=Summit
NOTE: Intensity = Counts, 2T(0)=0.0(°), Wavelength to Compute d-Spacing = 1.54056A(Cu/K-alpha1)
Cell Type = Cubic(F-Center), Fm-3m (225)
Refined Cell = 4.28891(0.001931) <>
Vol= 78.89 A^3, Density(c)= 5.0944 (Chemical Formula =C0.7N0.3Ti, Z=4.0)
2-Theta Error Window = 0.3(°), Zero Offset = 0.0(°), Displacement = 0.0(°)
ESD of Fit = 0.0778(°), |Delta 2-Theta| = 0.0628(°), |Delta d| = 0.00166(A), F(5) = 13.3(6)
Intensity Weighting = sqrt(I%), 2-Theta Range = 20.0/95.0(°), (x) Outlier Rejection at 2.0 sigmas
2T(cor) = 2T(cal) + Zero Offset + Displacement (cal=Calculated, obs=Observed, cor=Corrected)
h k l 2T(cal) 2T(cor) 2T(obs) Delta d(cal) d(cor) d(obs) Del-d ?
1 1 1 36.248 36.248 36.214 0.034 2.4762 2.4762 2.4784 -0.0022
2 0 0 42.102 42.102 42.053 0.049 2.1445 2.1445 2.1468 -0.0024
2 2 0 61.059 61.059 61.019 0.040 1.5164 1.5164 1.5172 -0.0009
3 1 1 73.119 73.119 73.004 0.115 1.2932 1.2932 1.2949 -0.0018
2 2 2 76.946 76.946 77.023 -0.077 1.2381 1.2381 1.2371 0.0010
4 0 0 91.844 91.844 --- 1.0722 1.0722 ---
另外想请教下:高能球磨后晶格常数的变化时由什么原因引起的,能说明什么问题呢?本人现在对晶格常数让面的知识还比较的无知,各位达人见笑啦!