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科研小记 | XRD标准卡片 PDF#00-041-1426、PDF#00-025-0390
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PDF#00-041-1426(RDB):质标=星印(S);d=衍射仪;I=衍射仪
Shcherbinaite, syn(Vanadium Oxide)
V2 O5 Dark orange
射线=CuKa 波长=1.54178 滤波法=Graph
校准=外部(Si) 2θ=15.349-78.176 I/Ic(K值)=1.6
文献: Schulz, D., Larson, F, McCarthy, G., North Dakota State Univ., Fargo, ND, USA.
ICDD Grant-in-Aid(1988)
正交晶系-粉末衍射,Pmmn(59) Z=2
晶胞: 11.516×3.5656×4.3727 <90.0×90.0x90.0> P.S=oP14.00
密度(计算)=3.364 密度(测量)=3.32 分子量=181.88 体积=179.55 F(30)=92.1(0.0096,34/0)
文献: Enjalbert, R., Galy, J.
Acta Crystallogr., Sec. C: Cryst. Struct. Commun., v42 p1467(1986)
强峰线: 4.38/X 3.41/8 2.88/5 2.88/5 5.77/3 4.09/3 2.61/3 2.76/2
Additional Patterns: To replace 00-009-0387 and validated by calculated pattern.
See PDF 01-077-2418 and 01-072-0433.
Color: Dark orange.
Optical Data Specimen location: Optical data on specimen from Izalco Volcano, El Salvador.
Sample Preparation: Sample obtained from J.T.
Baker Chemical Co.
Unit Cell Data Source: Powder Diffraction.
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
15.349 5.7680 33.0 ( 2 0 0) 7.675 0.0867 1.0893
20.263 4.3790 100.0 ( 0 0 1) 10.131 0.1142 1.4348
21.711 4.0900 27.0 ( 1 0 1) 10.856 0.1222 1.5362
25.562 3.4820 4.0 ( 2 0 1) 12.781 0.1436 1.8045
26.126 3.4080 75.0 ( 1 1 0) 13.063 0.1467 1.8437
31.005 2.8820 52.0 ( 4 0 0) 15.502 0.1735 2.1801
31.005 2.8820 52.0 ( 3 0 1) 15.502 0.1735 2.1801
32.364 2.7640 23.0 ( 0 1 1) 16.182 0.1809 2.2732
33.294 2.6889 7.0 ( 1 1 1) 16.647 0.1859 2.3367
34.282 2.6136 25.0 ( 3 1 0) 17.141 0.1913 2.4040
36.021 2.4913 3.0 ( 2 1 1) 18.011 0.2007 2.5221
37.370 2.4044 2.0 ( 4 0 1) 18.685 0.2080 2.6132
40.178 2.2426 1.0 ( 3 1 1) 20.089 0.2230 2.8017
41.258 2.1864 11.0 ( 0 0 2) 20.629 0.2287 2.8738
42.015 2.1487 5.0 ( 1 0 2) 21.008 0.2327 2.9242
44.274 2.0442 3.0 ( 2 0 2) 22.137 0.2446 3.0737
44.420 2.0378 <1 ( 5 0 1) 22.210 0.2454 3.0833
45.452 1.9939 10.0 ( 4 1 1) 22.726 0.2508 3.1512
47.322 1.9194 14.0 ( 6 0 0) 23.661 0.2605 3.2735
47.840 1.8998 8.0 ( 3 0 2) 23.920 0.2632 3.3073
48.829 1.8636 8.0 ( 0 1 2) 24.415 0.2683 3.3715
49.500 1.8399 2.0 ( 1 1 2) 24.750 0.2718 3.4150
51.210 1.7824 16.0 ( 0 2 0) 25.605 0.2805 3.5251
51.492 1.7733 3.0 ( 2 1 2) 25.746 0.2820 3.5432
51.620 1.7692 2.0 ( 5 1 1) 25.810 0.2826 3.5514
52.009 1.7569 7.0 ( 6 0 1) 26.004 0.2846 3.5763
52.510 1.7413 1.0 ( 4 0 2) 26.255 0.2871 3.6083
53.778 1.7032 2.0 ( 2 2 0) 26.889 0.2936 3.6890
55.641 1.6505 6.0 ( 0 2 1) 27.821 0.3029 3.8068
56.249 1.6341 2.0 ( 1 2 1) 28.124 0.3060 3.8450
58.079 1.5869 1.0 ( 2 2 1) 29.039 0.3151 3.9594
58.131 1.5856 1.0 ( 5 0 2) 29.065 0.3153 3.9627
58.499 1.5765 3.0 ( 6 1 1) 29.249 0.3172 3.9855
58.991 1.5645 6.0 ( 4 1 2) 29.496 0.3196 4.0161
60.038 1.5397 3.0 ( 7 0 1) 30.019 0.3247 4.0808
61.072 1.5161 8.0 ( 4 2 0) 30.536 0.3298 4.1443
61.072 1.5161 8.0 ( 3 2 1) 30.536 0.3298 4.1443
62.079 1.4939 9.0 ( 7 1 0) 31.039 0.3347 4.2059
63.804 1.4576 <1 ( 0 0 3) 31.902 0.3430 4.3106
64.238 1.4488 2.0 ( 5 1 2) 32.119 0.3451 4.3368
64.377 1.4460 3.0 ( 1 0 3) 32.189 0.3458 4.3452
64.557 1.4424 3.0 ( 6 0 2) 32.279 0.3466 4.3561
64.708 1.4394 2.0 ( 8 0 0) 32.354 0.3474 4.3651
65.079 1.4321 1.0 ( 4 2 1) 32.539 0.3491 4.3874
66.049 1.4134 3.0 ( 2 0 3) 33.024 0.3538 4.4454
66.049 1.4134 3.0 ( 7 1 1) 33.024 0.3538 4.4454
67.771 1.3816 2.0 ( 0 2 2) 33.886 0.3619 4.5478
68.322 1.3718 2.0 ( 1 2 2) 34.161 0.3645 4.5802
68.578 1.3673 1.0 ( 8 0 1) 34.289 0.3657 4.5953
68.848 1.3626 2.0 ( 3 0 3) 34.424 0.3669 4.6112
69.630 1.3492 3.0 ( 0 1 3) 34.815 0.3706 4.6570
69.968 1.3435 1.0 ( 2 2 2) 34.984 0.3722 4.6767
70.124 1.3409 1.0 ( 5 2 1) 35.062 0.3729 4.6858
70.124 1.3409 1.0 ( 1 1 3) 35.062 0.3729 4.6858
70.346 1.3372 3.0 ( 6 1 2) 35.173 0.3739 4.6988
71.741 1.3146 2.0 ( 7 0 2) 35.870 0.3803 4.7795
71.798 1.3137 2.0 ( 2 1 3) 35.899 0.3806 4.7828
72.268 1.3063 5.0 ( 6 2 0) 36.134 0.3828 4.8099
72.661 1.3002 4.0 ( 3 2 2) 36.331 0.3846 4.8325
72.661 1.3002 4.0 ( 4 0 3) 36.331 0.3846 4.8325
74.500 1.2726 3.0 ( 3 1 3) 37.250 0.3929 4.9373
75.969 1.2516 3.0 ( 6 2 1) 37.984 0.3995 5.0201
76.401 1.2456 1.0 ( 4 2 2) 38.200 0.4014 5.0443
77.303 1.2333 1.0 ( 7 1 2) 38.651 0.4054 5.0946
77.429 1.2316 1.0 ( 5 0 3) 38.715 0.4060 5.1016
77.699 1.2280 1.0 ( 9 0 1) 38.849 0.4072 5.1166
78.176 1.2217 2.0 ( 4 1 3) 39.088 0.4093 5.1430
附图：
PDF#00-025-0390(RDB):质标=星印(S);d=衍射仪;I=衍射仪
Indium Sulfide
In2 S3 Dark grayish red
射线=CuKa1 波长=1.54056 滤波法=
校准=内部(W) 2θ=10.927-56.623 I/Ic(K值)=4.2
文献:
Natl. Bur. Stand. (U.S.) Monogr. 25, v11 p30(1974)
四方晶系-粉末衍射,I41/amd(141) Z=16
晶胞: 7.619×7.619×32.329 <90.0×90.0x90.0> P.S=tI80.00
密度(计算)=4.613 密度(测量)= 分子量=325.82 体积=1876.67 F(30)=53(0.0103,55/0)
文献:
强峰线: 3.25/X 1.91/7 2.69/5 2.07/5 6.21/3 3.81/2 1.64/1 3.11/1
Additional Patterns: To replace 00-005-0729.
Color: Dark grayish red.
General Comments: This form is reported to transform irreversibly at 330 C to a high temperature cubic form.
Sample Preparation: The ”In2 S3” was made by W.S.
Brower by heating the elements in a sealed silica tube at 460 C for sixteen hours and at 880 C for six hours.
Temperature of Data Collection: Pattern taken at 298 K.
Unit Cell Data Source: Powder Diffraction.
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
10.927 8.0900 4.0 ( 0 0 4) 5.464 0.0618 0.7767
11.950 7.4000 3.0 ( 1 0 1) 5.975 0.0676 0.8491
14.251 6.2100 30.0 ( 1 0 3) 7.125 0.0805 1.0118
17.340 5.1100 12.0 ( 1 1 2) 8.670 0.0978 1.2296
17.989 4.9270 2.0 ( 1 0 5) 8.995 0.1015 1.2753
21.978 4.0410 3.0 ( 0 0 8) 10.989 0.1237 1.5549
22.508 3.9470 2.0 ( 1 0 7) 11.254 0.1267 1.5919
23.322 3.8110 18.0 ( 1 1 6) 11.661 0.1312 1.6487
25.841 3.4450 2.0 ( 2 0 4) 12.920 0.1451 1.8239
26.252 3.3920 2.0 ( 2 1 1) 13.126 0.1474 1.8524
27.429 3.2490 100.0 ( 1 0 9) 13.715 0.1539 1.9339
28.662 3.1120 12.0 ( 2 0 6) 14.331 0.1607 2.0190
29.605 3.0150 1.0 ( 2 1 5) 14.802 0.1658 2.0840
32.292 2.7700 3.0 ( 2 0 8) 16.146 0.1805 2.2683
32.643 2.7410 3.0 ( 2 1 7) 16.322 0.1824 2.2923
33.229 2.6940 50.0 (0,0,12) 16.614 0.1856 2.3323
35.065 2.5570 1.0 ( 2 2 4) 17.533 0.1955 2.4572
35.423 2.5320 1.0 ( 3 0 1) 17.711 0.1975 2.4815
36.312 2.4720 4.0 ( 3 0 3) 18.156 0.2023 2.5417
37.735 2.3820 1.0 ( 3 1 2) 18.868 0.2099 2.6378
38.033 2.3640 3.0 (1,0,13) 19.017 0.2115 2.6579
38.976 2.3090 1.0 ( 3 1 4) 19.488 0.2165 2.7212
40.510 2.2250 3.0 ( 3 0 7) 20.255 0.2247 2.8239
41.011 2.1990 9.0 ( 3 1 6) 20.505 0.2274 2.8573
42.549 2.1230 1.0 (1,1,14) 21.274 0.2355 2.9596
42.888 2.1070 2.0 ( 3 2 1) 21.444 0.2373 2.9821
43.605 2.0740 45.0 (1,0,15) 21.802 0.2411 3.0295
45.092 2.0090 3.0 (2,1,13) 22.546 0.2489 3.1275
47.701 1.9050 65.0 (2,2,12) 23.851 0.2625 3.2983
49.354 1.8450 1.0 (1,0,17) 24.677 0.2710 3.4055
50.040 1.8213 6.0 ( 4 1 3) 25.020 0.2745 3.4498
51.390 1.7766 1.0 ( 4 1 5) 25.695 0.2814 3.5366
53.131 1.7224 1.0 ( 4 0 8) 26.566 0.2903 3.6479
53.342 1.7161 1.0 (3,2,11) 26.671 0.2914 3.6613
53.761 1.7037 3.0 ( 3 3 6) 26.880 0.2935 3.6880
55.033 1.6673 3.0 (3,1,14) 27.516 0.2999 3.7685
55.241 1.6615 3.0 (1,0,19) 27.621 0.3009 3.7816
55.921 1.6429 13.0 ( 4 1 9) 27.961 0.3043 3.8244
56.623 1.6242 5.0 ( 4 2 6) 28.311 0.3078 3.8685
附图：
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