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【答案】应助回帖
PDF#01-080-0766: QM=Uncommon(?); d=Calculated; I=(Unknown)
Lanthanum Barium Copper Niobium Oxide
La1.0Ba2.0Cu2.1Nb0.9O8.02
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= 2T=7.368-89.942 I/Ic(RIR)=8.83
Ref: Level-1 PDF
Tetragonal, P4/mmm (123) Z=1 mp=
CELL: 3.97 x 3.97 x 11.989 <90.0 x 90.0 x 90.0> P.S=
Density(c)=6.668 Density(m)= Mwt= Vol=189.0
Ref: Ibid.
Strong Lines: 2.82/X 2.81/9 1.62/3 1.99/3 2.30/1 1.63/1 2.39/1 3.97/1
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
7.368 11.9890 0.8 ( 0 0 1) 3.684 0.0417 0.5241
14.766 5.9945 0.1 ( 0 0 2) 7.383 0.0834 1.0482
22.227 3.9963 2.8 ( 0 0 3) 11.113 0.1251 1.5722
22.376 3.9700 9.0 ( 1 0 0) 11.188 0.1259 1.5827
23.588 3.7687 3.9 ( 1 0 1) 11.794 0.1327 1.6672
26.915 3.3099 5.3 ( 1 0 2) 13.457 0.1511 1.8983
29.784 2.9973 0.9 ( 0 0 4) 14.892 0.1668 2.0963
31.745 2.8165 100.0 ( 1 0 3) 15.872 0.1775 2.2309
31.852 2.8072 92.9 ( 1 1 0) 15.926 0.1781 2.2382
35.275 2.5423 0.5 ( 1 1 2) 17.638 0.1967 2.4715
37.477 2.3978 5.5 ( 0 0 5) 18.739 0.2085 2.6204
37.570 2.3921 10.2 ( 1 0 4) 18.785 0.2090 2.6267
39.185 2.2971 12.1 ( 1 1 3) 19.593 0.2177 2.7353
44.167 2.0489 3.1 ( 1 1 4) 22.083 0.2440 3.0666
45.350 1.9982 8.4 ( 0 0 6) 22.675 0.2502 3.1445
45.667 1.9850 28.3 ( 2 0 0) 22.834 0.2519 3.1653
46.325 1.9583 0.2 ( 2 0 1) 23.163 0.2553 3.2084
48.257 1.8844 0.1 ( 2 0 2) 24.128 0.2653 3.3344
49.984 1.8232 2.3 ( 1 1 5) 24.992 0.2742 3.4462
51.135 1.7848 0.6 ( 1 0 6) 25.568 0.2801 3.5203
51.426 1.7754 2.1 ( 2 1 0) 25.713 0.2816 3.5389
52.028 1.7563 0.8 ( 2 1 1) 26.014 0.2847 3.5776
53.456 1.7127 1.5 ( 0 0 7) 26.728 0.2919 3.6686
53.807 1.7023 1.5 ( 2 1 2) 26.904 0.2937 3.6909
55.478 1.6550 0.7 ( 2 0 4) 27.739 0.3021 3.7966
56.483 1.6279 11.9 ( 1 1 6) 28.241 0.3071 3.8597
56.686 1.6225 32.9 ( 2 1 3) 28.343 0.3082 3.8725
58.657 1.5726 3.2 ( 1 0 7) 29.329 0.3179 3.9954
60.500 1.5290 4.0 ( 2 0 5) 30.250 0.3270 4.1092
60.566 1.5275 3.9 ( 2 1 4) 30.283 0.3273 4.1132
61.862 1.4986 0.1 ( 0 0 8) 30.931 0.3336 4.1926
63.586 1.4621 2.4 ( 1 1 7) 31.793 0.3420 4.2974
65.347 1.4269 0.1 ( 2 1 5) 32.673 0.3504 4.4035
66.322 1.4082 8.2 ( 2 0 6) 33.161 0.3551 4.4617
66.569 1.4036 8.8 ( 2 2 0) 33.284 0.3562 4.4764
68.616 1.3666 0.1 ( 2 2 2) 34.308 0.3659 4.5975
70.655 1.3321 0.1 ( 0 0 9) 35.328 0.3753 4.7167
70.955 1.3272 0.4 ( 2 1 6) 35.478 0.3767 4.7341
71.135 1.3243 0.8 ( 2 2 3) 35.568 0.3776 4.7445
71.694 1.3153 0.1 ( 3 0 1) 35.847 0.3801 4.7769
72.886 1.2967 2.0 ( 2 0 7) 36.443 0.3856 4.8454
74.601 1.2711 0.3 ( 2 2 4) 37.300 0.3934 4.9430
75.170 1.2629 1.8 ( 1 0 9) 37.585 0.3959 4.9752
75.697 1.2554 8.3 ( 3 0 3) 37.848 0.3983 5.0048
77.351 1.2327 2.6 ( 2 1 7) 38.676 0.4056 5.0973
77.641 1.2288 1.4 ( 3 1 2) 38.821 0.4069 5.1134
78.975 1.2113 1.4 ( 2 2 5) 39.487 0.4128 5.1870
79.592 1.2035 0.1 ( 1 1 9) 39.796 0.4155 5.2208
80.052 1.1977 2.0 ( 3 1 3) 40.026 0.4175 5.2460
83.399 1.1580 0.9 ( 3 0 5) 41.699 0.4318 5.4261
84.236 1.1486 4.0 ( 2 2 6) 42.118 0.4353 5.4705
84.541 1.1452 3.5 ( 2 1 8) 42.270 0.4366 5.4865
87.670 1.1122 0.8 ( 3 1 5) 43.835 0.4496 5.6493
88.277 1.1061 0.1 ( 2 0 9) 44.138 0.4520 5.6804
88.636 1.1026 1.3 (1,1,10) 44.318 0.4535 5.6987
88.787 1.1011 0.6 ( 3 2 0) 44.393 0.4541 5.7064
89.259 1.0965 0.2 ( 3 2 1) 44.630 0.4560 5.7304
89.942 1.0899 0.2 (0,0,11) 44.971 0.4588 5.7649 |
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