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科研小记 | XRD标准卡片 PDF#00-043-1484和PDF#00-029-0063
PDF#00-043-1484(RDB)(作废相):质标=计算(C);d=计算值;I=计算值
Corundum, syn(Aluminum Oxide)
Al2 O3
射线=CuKa1 波长=1.54056 滤波法=
校准= 2θ=25.577-117.842 I/Ic(K值)=0.98
文献: Grier, D., McCarthy, G., North Dakota State University, Fargo, North Dakota, USA.
ICDD Grant-in-Aid(1991)
菱面晶系-粉末衍射,R-3c(167) Z=6
晶胞: 4.7592×4.7592×12.992 <90.0×90.0x120.0> P.S=hR10.00
密度(计算)=3.986 密度(测量)= 分子量=101.96 体积=254.84 F(30)=428.5(0.0023,30/0)
文献: 出处同上
Acta Crystallogr., Sec. A: Cryst. Phys., Diffr., Theor. Crystallogr., v46 p271(1990)
强峰线: 2.09/X 2.55/X 1.60/X 3.48/7 1.37/6 1.74/5 2.38/4 1.40/4
Additional Patterns: See PDF 01-074-1081, 01-075-0782, 01-083-2080, 01-081-2267 and 01-075-1862.
Deleted Or Rejected By: Delete: 00-010-0173 is experimental and as good, WFM 12/98.
General Comments: Calculation of diffractometer peak intensities done with MICRO-POWD v.
2.2 (D.
Smith and K.
Smith) using default instrument broadening function (NBS Table), diffracted beam monochromator polarization correction, and atomic scattering factors corrected for anomalous dispersion.
Cell parameters from D.
Smith documentation for MICRO-POWD sample file (original structure data after Newnham and DeHaan).
Atomic positions from same source: Al in 12c with z=0.352, O in 18e with x=0.306.
Isotropic thermal parameters also from Smith: Al, B=0.14; O, B=0.22.
Unit Cell Data Source: Powder Diffraction.
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
25.577 3.4800 72.0 ( 0 1 2) 12.788 0.1437 1.8055
35.150 2.5510 98.0 ( 1 0 4) 17.575 0.1960 2.4630
37.768 2.3800 44.0 ( 1 1 0) 18.884 0.2101 2.6400
41.684 2.1650 1.0 ( 0 0 6) 20.842 0.2309 2.9022
43.341 2.0860 100.0 ( 1 1 3) 21.671 0.2397 3.0121
46.176 1.9643 2.0 ( 2 0 2) 23.088 0.2545 3.1987
52.549 1.7401 48.0 ( 0 2 4) 26.275 0.2873 3.6108
57.499 1.6015 96.0 ( 1 1 6) 28.750 0.3122 3.9233
59.739 1.5467 3.0 ( 2 1 1) 29.869 0.3233 4.0623
61.125 1.5149 4.0 ( 1 2 2) 30.563 0.3301 4.1476
61.304 1.5109 9.0 ( 0 1 8) 30.652 0.3309 4.1586
66.516 1.4046 38.0 ( 2 1 4) 33.258 0.3560 4.4733
68.203 1.3739 57.0 ( 3 0 0) 34.102 0.3639 4.5732
70.413 1.3361 1.0 ( 1 2 5) 35.206 0.3742 4.7026
74.302 1.2755 1.0 ( 2 0 8) 37.151 0.3920 4.9261
76.874 1.2391 17.0 (1,0,10) 38.437 0.4035 5.0708
77.236 1.2342 10.0 ( 1 1 9) 38.618 0.4051 5.0909
80.417 1.1932 1.0 ( 2 1 7) 40.208 0.4190 5.2658
80.694 1.1898 7.0 ( 2 2 0) 40.347 0.4202 5.2809
83.210 1.1601 1.0 ( 3 0 6) 41.605 0.4310 5.4161
84.350 1.1473 5.0 ( 2 2 3) 42.175 0.4358 5.4765
85.137 1.1387 <1 ( 1 3 1) 42.568 0.4391 5.5179
86.349 1.1258 4.0 ( 3 1 2) 43.174 0.4441 5.5811
86.502 1.1242 4.0 ( 1 2 8) 43.251 0.4448 5.5890
88.999 1.0990 8.0 (0,2,10) 44.500 0.4550 5.7172
90.707 1.0827 2.0 (0,0,12) 45.354 0.4618 5.8033
91.182 1.0783 10.0 ( 1 3 4) 45.591 0.4637 5.8269
94.819 1.0463 <1 ( 3 1 5) 47.409 0.4779 6.0051
95.238 1.0428 19.0 ( 2 2 6) 47.619 0.4795 6.0253
98.383 1.0177 2.0 ( 0 4 2) 49.191 0.4913 6.1739
101.067 0.9978 14.0 (2,1,10) 50.533 0.5011 6.2970
102.820 0.9855 <1 (1,1,12) 51.410 0.5074 6.3756
103.304 0.9822 3.0 ( 4 0 4) 51.652 0.5091 6.3971
104.638 0.9733 <1 ( 1 3 7) 52.319 0.5137 6.4555
109.525 0.9431 1.0 ( 3 2 1) 54.763 0.5302 6.6623
109.854 0.9412 <1 (1,2,11) 54.927 0.5312 6.6757
110.819 0.9357 <1 ( 2 3 2) 55.409 0.5344 6.7150
110.979 0.9348 4.0 ( 3 1 8) 55.489 0.5349 6.7214
114.071 0.9181 3.0 ( 2 2 9) 57.036 0.5446 6.8437
116.084 0.9079 13.0 ( 3 2 4) 58.042 0.5507 6.9206
116.613 0.9053 10.0 (0,1,14) 58.307 0.5523 6.9404
117.842 0.8994 8.0 ( 4 1 0) 58.921 0.5559 6.9860
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PDF#00-029-0063(RDB):质标=空白(B);d=(未知);I=(未知)
Aluminum Oxide
Al2 O3
射线=CuKa 波长=1.5418 滤波法=
校准= 2θ=19.581-66.763 I/Ic(K值)=
文献: Rooksby.
X-Ray Identification and Crystal Structures of Clay p264(1951)
立方晶系-粉末衍射,Fd-3m(227) Z=10.9
晶胞: 7.924×7.924×7.924 <90.0×90.0x90.0> P.S=cF54.50(?)
密度(计算)=3.709 密度(测量)= 分子量=101.96 体积=497.55 F(7)=8.4(0.092,9/0)
文献: 出处同上
强峰线: 1.40/X 1.98/8 2.39/7 2.80/5 2.28/4 4.53/4 1.53/1
Footnotes for D-spacings and Intensities: 1 Revised from 4.33.
Unit Cell Data Source: Powder Diffraction.
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
19.581 4.5300 35.0 ( 1 1 1) 9.790 0.1104 1.3870 3
31.937 2.8000 45.0 ( 2 2 0) 15.968 0.1786 2.2440 8
37.604 2.3900 65.0 ( 3 1 1) 18.802 0.2092 2.6289 11
39.492 2.2800 40.0 ( 2 2 2) 19.746 0.2193 2.7558 12
45.789 1.9800 80.0 ( 4 0 0) 22.895 0.2525 3.1733 16
60.458 1.5300 10.0 ( 5 1 1) 30.229 0.3268 4.1067 27
66.763 1.4000 100.0 ( 4 4 0) 33.381 0.3571 4.4880 32
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