|
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ 帝夫(金币+3): 对于这样优秀的回复帖,请在回复时选择“确定回帖应助”,方便楼主发放金币给你!! 2011-08-03 21:14:35 帝夫(金币+15): 替楼主给你15金币奖励!记得下次应助回帖时点击”确定回帖应助“按钮哦,方便楼主及时给你发放金币!谢谢合作~~ 2011-08-03 22:56:58
样品二:La0.8k0.2MnO3
(仅供参考)
JADE: Cell Refinement Report
FILE: [110623V-2.txt] 20.0000 205
SCAN: 20.0205/79.9425/0.0205/1(sec), Cu, I(max)=690, 08-03-11 20:30
PEAK: 17-pts/Parabolic Filter, Threshold=3.0, Cutoff=0.1%, BG=3/1.0, Peak-Top=Summit
NOTE: Intensity = Counts, 2T(0)=0.0(deg), Wavelength to Compute d-Spacing = 1.54056? (Cu/K-alpha1)
Cell Type = Hexagonal, R-3c (167) <1/3,2/3,2/3>
Initial Cell = 5.4903 x 5.4903 x 13.3186 <90.0 x 90.0 x 120.0>
Refined Cell = 5.4927(0.002917), 13.30551(0.012699) []
Vol= 347.64 A^3, Density(c)= 6.3194 (Chemical Formula =(La0.82Na0.16)MnO3, Z=6.0)
Two-Theta Error Window = 0.1(deg), Zero Offset = 0.0(deg), Displacement = 0.0(deg)
ESD of Fit = 0.0603(deg), |Delta 2-Theta| = 0.0513(deg), |Delta d| = 0.00224(?), F(12) = 9.7(24)
Intensity Weighting = Sqrt(I%), Two-Theta Range = 20.02/79.94(deg), (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 ?
( 0 1 2) 22.965 22.965 --- 3.8695 3.8695 ---
( 1 1 0) 32.577 32.577 32.495 0.082 2.7464 2.7464 2.7531 -0.0068
( 1 0 4) 32.827 32.827 32.915 -0.087 2.7260 2.7260 2.7189 0.0070
( 1 1 3) 38.524 38.524 38.550 -0.026 2.3349 2.3349 2.3334 0.0015
( 2 0 2) 40.234 40.234 40.292 -0.058 2.2396 2.2396 2.2365 0.0031
( 0 0 6) 40.651 40.651 --- 2.2176 2.2176 ---
( 0 2 4) 46.923 46.923 46.880 0.043 1.9347 1.9347 1.9364 -0.0017
( 2 1 1) 51.230 51.230 51.326 -0.096 1.7817 1.7817 1.7786 0.0031
( 1 2 2) 52.693 52.693 --- 1.7356 1.7356 ---
( 1 1 6) 53.032 53.032 --- 1.7253 1.7253 ---
( 3 0 0) 58.129 58.129 58.154 -0.025 1.5856 1.5856 1.5850 0.0006
( 2 1 4) 58.288 58.288 --- 1.5817 1.5817 ---
( 0 1 8) 58.764 58.764 --- 1.5700 1.5700 ---
( 1 2 5) 62.269 62.269 --- 1.4898 1.4898 ---
( 2 2 0) 68.243 68.243 68.187 0.056 1.3732 1.3732 1.3742 -0.0010
( 2 0 8) 68.824 68.824 68.830 -0.007 1.3630 1.3630 1.3629 0.0001
( 1 3 1) 71.849 71.849 --- 1.3129 1.3129 ---
( 2 1 7) 72.275 72.275 --- 1.3062 1.3062 ---
( 1 1 9) 72.558 72.558 --- 1.3018 1.3018 ---
( 3 1 2) 73.057 73.057 73.122 -0.065 1.2941 1.2941 1.2931 0.0010
( 3 0 6) 73.339 73.339 73.300 0.039 1.2898 1.2898 1.2904 -0.0006
( 1 0 10) 73.903 73.903 --- 1.2814 1.2814 ---
( 1 3 4) 77.820 77.820 77.788 0.032 1.2264 1.2264 1.2268 -0.0004
( 1 2 8) 78.234 78.234 --- 1.2209 1.2209 --- |
|