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【答案】应助回帖
PDF#72-0159: QM=Calculated(C); d=Calculated; I=Calculated
Titanium Niobium Oxide
Ti2 Nb10 O29
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=6.193-66.133 I/Ic(RIR)=2.35
Ref:
Monoclinic - (Unknown), A2/m (12) Z=2 mp=
CELL: 15.57 x 3.814 x 20.54 <90.0 x 113.683 x 90.0> P.S=mC82 (?)
Density(c)=4.425 Density(m)=4.300 Mwt=1488.85 Vol=1117.02 F(30)=185.4(.0039,42/0)
Ref: Wadsley, A.D.
Strong Lines: 3.56/X 3.74/X 3.42/6 2.78/5 5.12/5 4.75/3 2.69/3 1.91/3 1.68/3 14.3/2
FIZ=015474: At least one TF missing.
Calc.
density unusual but tolerable.
No R value given.
See PDF 00-013-0317.
Mixed oxides of titanium and niobium.
II.
The crystal structures of the dimorphic forms of Ti2 Nb10 O29 i20 c (A12/M1) A12X29
2-Theta d(?) I(f) ( h k l) Theta 1/(2d) 2pi/d n^2
6.193 14.2587 24.1 ( 1 0 0) 3.097 0.0351 0.4407
8.938 9.8854 16.4 ( 1 0-2) 4.469 0.0506 0.6356
9.396 9.4051 12.4 ( 0 0 2) 4.698 0.0532 0.6681
12.189 7.2551 1.6 ( 2 0-2) 6.095 0.0689 0.8660
12.405 7.1294 16.8 ( 2 0 0) 6.203 0.0701 0.8813
13.185 6.7094 1.8 ( 1 0 2) 6.592 0.0745 0.9365
17.308 5.1193 46.3 ( 1 0-4) 8.654 0.0977 1.2274
17.931 4.9427 1.1 ( 2 0-4) 8.966 0.1012 1.2712
18.374 4.8246 1.5 ( 2 0 2) 9.187 0.1036 1.3023
18.654 4.7529 32.8 ( 3 0 0) 9.327 0.1052 1.3220
20.535 4.3216 0.1 ( 3 0-4) 10.267 0.1157 1.4539
22.137 4.0122 1.8 ( 1 0 4) 11.069 0.1246 1.5660
22.834 3.8913 1.2 ( 4 0-2) 11.417 0.1285 1.6147
23.784 3.7379 97.2 ( 0 1 1) 11.892 0.1338 1.6809
24.107 3.6887 18.1 ( 3 0 2) 12.053 0.1355 1.7034
24.107 3.6887 18.1 ( 1 1-1) 12.053 0.1355 1.7034
24.959 3.5647 100.0 ( 4 0 0) 12.479 0.1403 1.7626
26.030 3.4204 64.8 ( 2 1-1) 13.015 0.1462 1.8370
26.030 3.4204 64.8 ( 2 0-6) 13.015 0.1462 1.8370
26.524 3.3578 9.3 ( 2 0 4) 13.262 0.1489 1.8712
26.524 3.3578 9.3 ( 1 0-6) 13.262 0.1489 1.8712
26.739 3.3312 22.4 ( 1 1-3) 13.369 0.1501 1.8861
27.037 3.2951 5.9 ( 3 0-6) 13.519 0.1517 1.9068
27.347 3.2585 0.5 ( 0 1 3) 13.674 0.1534 1.9282
27.598 3.2294 0.9 ( 2 1-3) 13.799 0.1548 1.9456
27.796 3.2069 4.7 ( 2 1 1) 13.898 0.1559 1.9593
28.447 3.1350 0.1 ( 0 0 6) 14.223 0.1595 2.0042
28.811 3.0962 0.1 ( 5 0-2) 14.406 0.1615 2.0293
29.167 3.0592 1.6 ( 3 1-1) 14.584 0.1634 2.0539
29.366 3.0390 4.2 ( 5 0-4) 14.683 0.1645 2.0675
29.366 3.0390 4.2 ( 4 0-6) 14.683 0.1645 2.0675
29.808 2.9949 0.4 ( 3 1-3) 14.904 0.1670 2.0980
31.341 2.8517 4.0 ( 5 0 0) 15.671 0.1753 2.2033
31.584 2.8304 14.1 ( 3 1 1) 15.792 0.1767 2.2199
31.584 2.8304 14.1 ( 1 0 6) 15.792 0.1767 2.2199
31.662 2.8236 10.4 ( 3 0 4) 15.831 0.1771 2.2253
32.166 2.7805 47.7 ( 2 1-5) 16.083 0.1798 2.2597
32.166 2.7805 47.7 ( 1 1-5) 16.083 0.1798 2.2597
32.862 2.7231 8.8 ( 5 0-6) 16.431 0.1836 2.3073
33.122 2.7024 3.5 ( 4 1-3) 16.561 0.1850 2.3251
33.290 2.6891 31.0 ( 3 1-5) 16.645 0.1859 2.3365
33.290 2.6891 31.0 ( 4 1-1) 16.645 0.1859 2.3365
35.027 2.5596 3.8 ( 6 0-2) 17.514 0.1953 2.4547
35.027 2.5596 3.8 ( 2 0-8) 17.514 0.1953 2.4547
35.102 2.5544 2.7 ( 3 0-8) 17.551 0.1957 2.4598
35.584 2.5209 13.6 ( 2 0 6) 17.792 0.1983 2.4925
35.681 2.5142 9.9 ( 4 1-5) 17.840 0.1989 2.4990
35.809 2.5055 5.6 ( 1 1 5) 17.905 0.1996 2.5077
36.151 2.4826 5.8 ( 1 0-8) 18.076 0.2014 2.5309
36.151 2.4826 5.8 ( 4 1 1) 18.076 0.2014 2.5309
36.513 2.4588 3.5 ( 3 1 3) 18.257 0.2034 2.5554
37.146 2.4184 4.4 ( 6 0-6) 18.573 0.2068 2.5981
37.284 2.4097 3.7 ( 5 1-3) 18.642 0.2075 2.6075
37.284 2.4097 3.7 ( 4 0 4) 18.642 0.2075 2.6075
37.826 2.3765 3.3 ( 6 0 0) 18.913 0.2104 2.6439
38.101 2.3599 0.3 ( 5 1-1) 19.050 0.2119 2.6625
38.247 2.3513 0.4 ( 0 0 8) 19.123 0.2127 2.6723
38.694 2.3251 1.7 ( 2 1-7) 19.347 0.2150 2.7023
38.966 2.3095 11.7 ( 5 1-5) 19.483 0.2165 2.7206
39.133 2.3001 11.8 ( 2 1 5) 19.566 0.2174 2.7318
39.133 2.3001 11.8 ( 3 1-7) 19.566 0.2174 2.7318
40.293 2.2365 0.1 ( 3 0 6) 20.146 0.2236 2.8094
40.548 2.2230 0.1 ( 4 1-7) 20.274 0.2249 2.8265
40.548 2.2230 0.1 ( 7 0-4) 20.274 0.2249 2.8265
41.290 2.1847 1.1 ( 1 0 8) 20.645 0.2289 2.8760
41.290 2.1847 1.1 ( 5 1 1) 20.645 0.2289 2.8760
41.379 2.1802 0.7 ( 7 0-2) 20.690 0.2293 2.8819
41.768 2.1608 1.4 ( 6 0-8) 20.884 0.2314 2.9078
42.051 2.1469 1.0 ( 7 0-6) 21.026 0.2329 2.9266
42.051 2.1469 1.0 ( 6 1-3) 21.026 0.2329 2.9266
43.022 2.1007 0.7 ( 6 1-5) 21.511 0.2380 2.9910
43.220 2.0915 1.7 ( 3 1 5) 21.610 0.2391 3.0041
43.220 2.0915 1.7 ( 5 0 4) 21.610 0.2391 3.0041
44.051 2.0540 21.2 ( 3 0-10) 22.026 0.2434 3.0591
44.438 2.0370 21.0 ( 7 0 0) 22.219 0.2455 3.0846
44.438 2.0370 21.0 ( 4 0-10) 22.219 0.2455 3.0846
44.573 2.0311 11.9 ( 2 0-10) 22.287 0.2462 3.0935
45.159 2.0061 0.6 ( 2 0 8) 22.580 0.2492 3.1320
45.527 1.9907 0.4 ( 4 0 6) 22.764 0.2512 3.1562
45.701 1.9836 0.3 ( 7 0-8) 22.851 0.2521 3.1676
45.860 1.9771 0.2 ( 5 0-10) 22.930 0.2529 3.1780
46.112 1.9668 0.9 ( 6 1-7) 23.056 0.2542 3.1946
46.354 1.9571 0.2 ( 3 1-9) 23.177 0.2555 3.2104
46.448 1.9534 0.2 ( 5 1 3) 23.224 0.2560 3.2166
46.644 1.9456 0.7 ( 8 0-4) 23.322 0.2570 3.2294
46.873 1.9367 0.9 ( 6 1 1) 23.436 0.2582 3.2443
47.080 1.9287 0.8 ( 4 1-9) 23.540 0.2592 3.2578
47.080 1.9287 0.8 ( 2 1 7) 23.540 0.2592 3.2578
47.647 1.9070 29.7 ( 7 1-5) 23.824 0.2622 3.2948
47.647 1.9070 29.7 ( 0 2 0) 23.824 0.2622 3.2948
48.106 1.8899 2.8 ( 6 0-10) 24.053 0.2646 3.3246
48.106 1.8899 2.8 ( 1 2 0) 24.053 0.2646 3.3246
48.582 1.8725 0.4 ( 1 2-2) 24.291 0.2670 3.3555
48.679 1.8690 0.4 ( 5 1-9) 24.339 0.2675 3.3618
48.679 1.8690 0.4 ( 0 2 2) 24.339 0.2675 3.3618
49.160 1.8518 0.9 ( 7 1-1) 24.580 0.2700 3.3930
49.389 1.8437 2.4 ( 2 2 0) 24.695 0.2712 3.4079
49.389 1.8437 2.4 ( 6 0 4) 24.695 0.2712 3.4079
50.040 1.8213 0.2 ( 7 1-7) 25.020 0.2745 3.4499
51.067 1.7870 4.7 ( 6 1-9) 25.533 0.2798 3.5160
51.067 1.7870 4.7 ( 1 2-4) 25.533 0.2798 3.5160
51.211 1.7823 8.6 ( 8 0 0) 25.606 0.2805 3.5252
51.211 1.7823 8.6 ( 5 0 6) 25.606 0.2805 3.5252
51.447 1.7747 6.7 ( 2 2 2) 25.724 0.2817 3.5404
51.447 1.7747 6.7 ( 1 0 10) 25.724 0.2817 3.5404
51.599 1.7699 5.8 ( 3 2 0) 25.800 0.2825 3.5501
52.111 1.7537 0.7 ( 6 1 3) 26.055 0.2851 3.5829
52.487 1.7420 0.4 ( 1 1 9) 26.244 0.2870 3.6069
52.829 1.7315 10.5 ( 7 1 1) 26.415 0.2888 3.6288
53.021 1.7257 6.1 ( 9 0-4) 26.510 0.2897 3.6410
53.130 1.7224 3.3 ( 5 1 5) 26.565 0.2903 3.6479
53.130 1.7224 3.3 ( 8 1-3) 26.565 0.2903 3.6479
53.243 1.7190 7.6 ( 9 0-6) 26.621 0.2909 3.6551
53.539 1.7102 1.7 ( 4 0-12) 26.770 0.2924 3.6740
53.667 1.7064 1.7 ( 3 0-12) 26.834 0.2930 3.6821
54.096 1.6939 0.6 ( 3 2 2) 27.048 0.2952 3.7093
54.240 1.6897 1.1 ( 4 2-4) 27.120 0.2959 3.7184
54.240 1.6897 1.1 ( 5 0-12) 27.120 0.2959 3.7184
54.528 1.6815 16.2 ( 4 2 0) 27.264 0.2974 3.7367
54.528 1.6815 16.2 ( 8 1-7) 27.264 0.2974 3.7367
54.734 1.6757 26.3 ( 3 1-11) 27.367 0.2984 3.7497
54.734 1.6757 26.3 ( 9 0-2) 27.367 0.2984 3.7497
54.857 1.6722 14.3 ( 8 0-10) 27.429 0.2990 3.7575
54.857 1.6722 14.3 ( 4 1-11) 27.429 0.2990 3.7575
55.092 1.6656 11.7 ( 2 2-6) 27.546 0.3002 3.7723
55.253 1.6611 13.0 ( 8 1-1) 27.626 0.3010 3.7825
55.253 1.6611 13.0 ( 2 0 10) 27.626 0.3010 3.7825
55.358 1.6582 5.8 ( 2 1-11) 27.679 0.3015 3.7891
55.358 1.6582 5.8 ( 1 2-6) 27.679 0.3015 3.7891
55.639 1.6505 1.6 ( 3 2-6) 27.820 0.3029 3.8068
55.793 1.6463 1.5 ( 6 0-12) 27.897 0.3037 3.8165
55.793 1.6463 1.5 ( 5 1-11) 27.897 0.3037 3.8165
55.983 1.6412 0.6 ( 2 1 9) 27.992 0.3047 3.8284
56.209 1.6351 0.2 ( 8 0 2) 28.104 0.3058 3.8426
56.367 1.6309 0.3 ( 0 2 6) 28.184 0.3066 3.8526
56.367 1.6309 0.3 ( 1 0-12) 28.184 0.3066 3.8526
56.640 1.6237 0.2 ( 5 2-2) 28.320 0.3079 3.8696
56.916 1.6165 2.6 ( 4 2-6) 28.458 0.3093 3.8869
56.916 1.6165 2.6 ( 1 1-11) 28.458 0.3093 3.8869
57.236 1.6082 4.0 ( 6 0 6) 28.618 0.3109 3.9069
57.421 1.6035 2.1 ( 4 2 2) 28.711 0.3118 3.9185
58.020 1.5883 1.5 ( 7 0-12) 29.010 0.3148 3.9559
58.020 1.5883 1.5 ( 8 1-9) 29.010 0.3148 3.9559
58.145 1.5852 2.5 ( 9 0 0) 29.072 0.3154 3.9636
58.145 1.5852 2.5 ( 5 2 0) 29.072 0.3154 3.9636
58.342 1.5803 1.8 ( 3 2 4) 29.171 0.3164 3.9759
58.342 1.5803 1.8 ( 1 2 6) 29.171 0.3164 3.9759
58.550 1.5752 10.8 ( 9 1-5) 29.275 0.3174 3.9888
58.813 1.5688 11.8 ( 6 1 5) 29.407 0.3187 4.0051
58.813 1.5688 11.8 ( 0 0 12) 29.407 0.3187 4.0051
59.091 1.5621 4.3 ( 5 2-6) 29.546 0.3201 4.0224
59.162 1.5604 4.7 ( 9 0-10) 29.581 0.3204 4.0268
59.162 1.5604 4.7 ( 0 1 11) 29.581 0.3204 4.0268
59.639 1.5490 1.1 ( 9 1-7) 29.819 0.3228 4.0562
59.639 1.5490 1.1 ( 3 0 10) 29.819 0.3228 4.0562
59.980 1.5410 11.6 ( 7 1-11) 29.990 0.3245 4.0773
60.181 1.5364 6.7 ( 5 0 8) 30.090 0.3254 4.0897
60.181 1.5364 6.7 ( 3 1 9) 30.090 0.3254 4.0897
60.316 1.5332 0.9 ( 6 2-4) 30.158 0.3261 4.0980
60.490 1.5292 1.4 ( 3 2-8) 30.245 0.3270 4.1087
60.490 1.5292 1.4 ( 2 2-8) 30.245 0.3270 4.1087
60.859 1.5208 5.0 ( 2 2 6) 30.430 0.3288 4.1314
60.859 1.5208 5.0 ( 10 0-8) 30.430 0.3288 4.1314
61.068 1.5161 2.8 ( 5 1 7) 30.534 0.3298 4.1442
61.068 1.5161 2.8 ( 8 0-12) 30.534 0.3298 4.1442
61.354 1.5098 0.2 ( 5 2 2) 30.677 0.3312 4.1617
61.354 1.5098 0.2 ( 4 2-8) 30.677 0.3312 4.1617
61.687 1.5024 0.6 ( 9 1-1) 30.844 0.3328 4.1821
61.687 1.5024 0.6 ( 10 0-2) 30.844 0.3328 4.1821
61.914 1.4974 1.9 ( 4 2 4) 30.957 0.3339 4.1960
61.914 1.4974 1.9 ( 6 2-6) 30.957 0.3339 4.1960
62.117 1.4930 5.2 ( 1 1 11) 31.058 0.3349 4.2083
62.117 1.4930 5.2 ( 1 0 12) 31.058 0.3349 4.2083
62.382 1.4873 1.5 ( 6 2 0) 31.191 0.3362 4.2245
62.674 1.4811 0.3 ( 8 0 4) 31.337 0.3376 4.2422
62.674 1.4811 0.3 ( 0 2 8) 31.337 0.3376 4.2422
63.138 1.4713 0.6 ( 8 1-11) 31.569 0.3398 4.2704
63.365 1.4666 0.4 ( 4 0-14) 31.682 0.3409 4.2842
63.365 1.4666 0.4 ( 9 0 2) 31.682 0.3409 4.2842
63.701 1.4597 0.9 ( 4 1-13) 31.850 0.3425 4.3045
63.701 1.4597 0.9 ( 7 0 6) 31.850 0.3425 4.3045
63.935 1.4549 0.5 ( 3 0-14) 31.967 0.3437 4.3186
64.127 1.4510 3.5 ( 10 0-10) 32.063 0.3446 4.3302
64.127 1.4510 3.5 ( 3 2 6) 32.063 0.3446 4.3302
64.306 1.4474 1.9 ( 7 2-4) 32.153 0.3454 4.3410
64.592 1.4417 2.0 ( 10 1-5) 32.296 0.3468 4.3583
64.592 1.4417 2.0 ( 4 0 10) 32.296 0.3468 4.3583
64.823 1.4371 1.1 ( 4 1 9) 32.411 0.3479 4.3721
65.195 1.4298 0.7 ( 6 1-13) 32.597 0.3497 4.3945
65.195 1.4298 0.7 ( 6 2-8) 32.597 0.3497 4.3945
65.403 1.4258 0.9 ( 7 2-6) 32.701 0.3507 4.4069
65.403 1.4258 0.9 ( 10 0 0) 32.701 0.3507 4.4069
65.728 1.4195 0.3 ( 2 1 11) 32.864 0.3522 4.4264
65.728 1.4195 0.3 ( 9 1 1) 32.864 0.3522 4.4264
65.945 1.4153 0.2 ( 6 2 2) 32.973 0.3533 4.4393
65.945 1.4153 0.2 ( 11 0-6) 32.973 0.3533 4.4393
66.133 1.4118 0.1 ( 7 0-14) 33.066 0.3542 4.4505
66.133 1.4118 0.1 ( 6 0 8) 33.066 0.3542 4.4505 |
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