木虫 (著名写手)
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【答案】应助回帖
Card Information
Names: Sodium Titanium Oxide
sodium phyllo-heptaoxotrititanate
Formula: Na2 Ti3 O7
PDF Number: 72-148
Quality: calculated
Subfiles: inorganic COR FIZ
Cell and Symmetry Information
System: monoclinic Space Group: P21/m (no. 11)
a: 8.57100 b: 3.80400 c: 9.13500
b: 101.570
Density (Dm): 3.400 Density (Dx): 3.433 Z: 2
Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 2.05
Comments and Additional Information
ICSD Number: 015463
RM REM B R-value for (h1l)-data.
TT At least one TF missing.
Pattern: See PDF 00-014-0085.
TI The crystal structure of Na2 Ti3 O7
WY e12 (P121/M1)
AF A2B3X7
Literature References
General: Calculated from ICSD using POWD-12++ (1997)
Structure: Andersson, S., Wadsley, A.D. Acta Crystallogr. 14 1245 (1961)
Peak Data
PeakList
2-Theta d(A) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
9.875 8.9494 2.9 ( 0 0 1) 4.938 0.0559 0.7021
10.527 8.3968 100.0 ( 1 0 0) 5.263 0.0595 0.7483
12.919 6.8469 4.7 (-1 0 1) 6.459 0.0730 0.9177
15.842 5.5896 28.0 ( 1 0 1) 7.921 0.0895 1.1241
19.825 4.4747 5.2 ( 0 0 2) 9.912 0.1117 1.4042
20.516 4.3254 0.1 (-1 0 2) 10.258 0.1156 1.4526
21.144 4.1984 0.8 ( 2 0 0) 10.572 0.1191 1.4966
21.482 4.1330 4.7 (-2 0 1) 10.741 0.1210 1.5202
24.323 3.6563 0.6 ( 1 0 2) 12.162 0.1367 1.7184
25.151 3.5379 0.2 ( 2 0 1) 12.575 0.1413 1.7760
25.689 3.4650 32.3 ( 1 1 0) 12.844 0.1443 1.8133
26.006 3.4235 2.3 (-2 0 2) 13.003 0.1461 1.8353
26.788 3.3253 0.4 (-1 1 1) 13.394 0.1504 1.8895
28.356 3.1448 11.7 ( 1 1 1) 14.178 0.1590 1.9979
29.678 3.0077 4.5 (-1 0 3) 14.839 0.1662 2.0890
29.928 2.9831 13.0 ( 0 0 3) 14.964 0.1676 2.1062
30.826 2.8983 6.4 ( 0 1 2) 15.413 0.1725 2.1679
31.288 2.8565 7.0 (-1 1 2) 15.644 0.1750 2.1996
31.715 2.8190 6.9 ( 2 1 0) 15.858 0.1774 2.2289
31.948 2.7989 9.9 (-2 1 1) 15.974 0.1786 2.2449
33.140 2.7010 3.6 (-2 0 3) 16.570 0.1851 2.3263
33.817 2.6484 5.3 ( 1 0 3) 16.908 0.1888 2.3724
33.980 2.6361 7.6 ( 1 1 2) 16.990 0.1897 2.3835
34.181 2.6210 13.2 (-3 0 2) 17.091 0.1908 2.3972
34.595 2.5906 7.4 ( 2 1 1) 17.297 0.1930 2.4253
35.240 2.5447 4.6 (-2 1 2) 17.620 0.1965 2.4691
35.442 2.5307 6.7 ( 3 0 1) 17.721 0.1976 2.4828
38.111 2.3593 2.1 (-1 1 3) 19.055 0.2119 2.6631
38.312 2.3474 5.1 ( 0 1 3) 19.156 0.2130 2.6767
39.449 2.2823 0.9 (-3 0 3) 19.725 0.2191 2.7530
39.583 2.2749 0.7 (-3 1 1) 19.791 0.2198 2.7619
39.998 2.2523 0.4 ( 3 1 0) 19.999 0.2220 2.7897
40.276 2.2373 0.6 ( 0 0 4) 20.138 0.2235 2.8083
40.419 2.2298 0.3 ( 2 0 3) 20.209 0.2242 2.8179
40.946 2.2023 0.1 (-2 1 3) 20.473 0.2270 2.8530
41.301 2.1842 0.2 ( 3 0 2) 20.650 0.2289 2.8767
41.512 2.1735 0.5 ( 1 1 3) 20.756 0.2300 2.8908
41.818 2.1583 1.6 (-3 1 2) 20.909 0.2317 2.9111
42.887 2.1070 1.4 ( 3 1 1) 21.443 0.2373 2.9821
43.054 2.0992 2.0 ( 4 0 0) 21.527 0.2382 2.9931
43.770 2.0665 20.8 (-4 0 2) 21.885 0.2420 3.0405
43.882 2.0615 31.2 ( 1 0 4) 21.941 0.2425 3.0479
46.326 1.9583 4.1 ( 4 0 1) 23.163 0.2553 3.2085
46.569 1.9486 0.9 (-3 0 4) 23.285 0.2566 3.2245
47.083 1.9285 1.1 ( 0 1 4) 23.542 0.2593 3.2581
47.210 1.9237 1.1 ( 2 1 3) 23.605 0.2599 3.2663
47.780 1.9020 20.4 ( 0 2 0) 23.890 0.2629 3.3035
48.840 1.8632 0.6 ( 3 0 3) 24.420 0.2684 3.3723
49.069 1.8550 1.9 ( 1 2 0) 24.535 0.2695 3.3871
49.556 1.8379 0.4 ( 4 1 0) 24.778 0.2720 3.4186
49.709 1.8326 0.4 (-1 2 1) 24.855 0.2728 3.4285
49.839 1.8282 1.3 ( 2 0 4) 24.919 0.2735 3.4369
50.200 1.8159 6.1 (-4 1 2) 25.100 0.2754 3.4602
50.300 1.8125 4.4 ( 1 1 4) 25.150 0.2759 3.4667
50.655 1.8006 1.4 ( 1 2 1) 25.327 0.2777 3.4895
50.980 1.7899 0.1 ( 0 0 5) 25.490 0.2793 3.5104
51.273 1.7803 0.5 (-2 0 5) 25.636 0.2808 3.5292
51.628 1.7689 1.4 ( 4 0 2) 25.814 0.2827 3.5519
52.214 1.7504 0.4 ( 0 2 2) 26.107 0.2856 3.5895
52.515 1.7411 0.3 ( 4 1 1) 26.258 0.2872 3.6087
52.737 1.7343 0.8 (-3 1 4) 26.369 0.2883 3.6229
52.950 1.7278 0.6 (-2 2 1) 26.475 0.2894 3.6365
53.409 1.7141 0.5 (-5 0 1) 26.705 0.2917 3.6657
53.745 1.7041 0.1 (-4 1 3) 26.873 0.2934 3.6871
54.323 1.6874 0.2 (-5 0 2) 27.162 0.2963 3.7237
54.473 1.6831 0.7 ( 1 0 5) 27.236 0.2971 3.7332
54.603 1.6794 0.4 ( 5 0 0) 27.301 0.2977 3.7414
54.819 1.6733 0.4 ( 3 1 3) 27.409 0.2988 3.7551
55.031 1.6673 1.0 (-3 0 5) 27.516 0.2999 3.7685
55.199 1.6626 0.8 (-2 2 2) 27.600 0.3007 3.7791
55.741 1.6478 3.5 ( 2 1 4) 27.870 0.3034 3.8132
56.799 1.6195 0.3 ( 0 1 5) 28.399 0.3087 3.8796
57.070 1.6125 1.2 (-2 1 5) 28.535 0.3101 3.8966
57.262 1.6076 1.5 (-5 0 3) 28.631 0.3110 3.9085
57.410 1.6038 3.1 ( 4 1 2) 28.705 0.3118 3.9178
57.626 1.5983 1.6 ( 3 0 4) 28.813 0.3128 3.9313
57.808 1.5936 0.5 ( 5 0 1) 28.904 0.3137 3.9427
58.353 1.5801 0.1 (-3 2 1) 29.176 0.3164 3.9765
58.664 1.5724 0.4 ( 3 2 0) 29.332 0.3180 3.9959
59.064 1.5627 2.7 (-5 1 1) 29.532 0.3200 4.0206
59.382 1.5551 1.2 (-2 2 3) 29.691 0.3215 4.0403
59.815 1.5449 1.5 ( 1 2 3) 29.908 0.3236 4.0671
59.913 1.5426 1.9 (-5 1 2) 29.957 0.3241 4.0732
60.050 1.5394 3.9 (-3 2 2) 30.025 0.3248 4.0816
60.183 1.5363 2.0 ( 5 1 0) 30.092 0.3255 4.0898
60.585 1.5271 0.3 (-3 1 5) 30.293 0.3274 4.1145
60.877 1.5204 2.6 (-4 0 5) 30.439 0.3289 4.1325
61.621 1.5039 1.3 (-2 0 6) 30.810 0.3325 4.1780
62.040 1.4947 0.4 (-5 0 4) 31.020 0.3345 4.2036
62.186 1.4916 0.7 ( 0 0 6) 31.093 0.3352 4.2125
62.684 1.4809 0.6 (-5 1 3) 31.342 0.3376 4.2428
62.830 1.4778 2.4 ( 5 0 2) 31.415 0.3383 4.2517
63.035 1.4735 3.1 ( 3 1 4) 31.517 0.3393 4.2642
63.209 1.4699 1.7 ( 5 1 1) 31.604 0.3402 4.2747
63.630 1.4611 0.3 (-3 2 3) 31.815 0.3422 4.3002
63.938 1.4548 0.2 ( 4 1 3) 31.969 0.3437 4.3188
64.220 1.4491 0.2 ( 0 2 4) 32.110 0.3450 4.3358
64.586 1.4418 3.7 (-3 0 6) 32.293 0.3468 4.3579
65.336 1.4270 0.6 (-6 0 1) 32.668 0.3504 4.4029
65.742 1.4192 0.4 ( 1 0 6) 32.871 0.3523 4.4272
66.060 1.4132 3.0 (-1 1 6) 33.030 0.3538 4.4462
66.254 1.4095 2.3 ( 4 2 0) 33.127 0.3547 4.4578
66.790 1.3995 8.4 ( 6 0 0) 33.395 0.3573 4.4897
66.874 1.3979 9.4 ( 1 2 4) 33.437 0.3577 4.4947
67.241 1.3912 1.0 (-5 1 4) 33.620 0.3594 4.5164
67.381 1.3886 1.0 ( 0 1 6) 33.690 0.3601 4.5247
67.999 1.3775 2.9 (-6 0 3) 34.000 0.3630 4.5613
68.458 1.3694 0.1 (-5 0 5) 34.229 0.3651 4.5883
68.744 1.3644 1.3 ( 4 2 1) 34.372 0.3665 4.6052
68.934 1.3611 0.9 (-3 2 4) 34.467 0.3674 4.6163
69.459 1.3521 0.3 ( 5 0 3) 34.730 0.3698 4.6471
69.687 1.3482 0.4 (-3 1 6) 34.843 0.3709 4.6604
70.045 1.3422 0.1 ( 6 0 1) 35.022 0.3725 4.6813
70.410 1.3361 0.6 (-6 1 1) 35.205 0.3742 4.7026
70.745 1.3306 0.5 ( 1 1 6) 35.373 0.3758 4.7220
71.523 1.3180 0.4 ( 2 2 4) 35.762 0.3794 4.7671
71.997 1.3105 0.3 (-6 0 4) 35.998 0.3815 4.7944
72.477 1.3030 0.4 (-1 0 7) 36.238 0.3837 4.8220
72.687 1.2998 0.4 (-2 2 5) 36.344 0.3847 4.8341
72.977 1.2953 0.7 (-6 1 3) 36.489 0.3860 4.8507
73.430 1.2885 0.6 (-5 1 5) 36.715 0.3881 4.8765
74.098 1.2785 0.3 ( 0 0 7) 37.049 0.3911 4.9146
74.451 1.2733 0.3 (-5 2 1) 37.225 0.3927 4.9346
74.973 1.2657 0.1 ( 6 1 1) 37.487 0.3950 4.9642
75.194 1.2625 0.1 (-3 0 7) 37.597 0.3960 4.9766
75.341 1.2604 0.3 ( 1 2 5) 37.671 0.3967 4.9849
75.811 1.2538 1.1 ( 1 3 0) 37.906 0.3988 5.0114
76.038 1.2506 0.7 ( 2 1 6) 38.019 0.3998 5.0241
76.312 1.2468 0.1 (-1 3 1) 38.156 0.4010 5.0395
76.490 1.2443 0.3 ( 4 0 5) 38.245 0.4018 5.0494
76.876 1.2391 0.2 (-6 1 4) 38.438 0.4035 5.0709
77.058 1.2366 0.3 ( 1 3 1) 38.529 0.4043 5.0811
77.320 1.2330 0.2 (-1 1 7) 38.660 0.4055 5.0957
77.712 1.2278 0.7 (-2 1 7) 38.856 0.4072 5.1174
78.029 1.2236 0.5 ( 3 2 4) 39.014 0.4086 5.1350
78.180 1.2216 0.4 (-7 0 1) 39.090 0.4093 5.1433
78.307 1.2200 0.4 ( 0 3 2) 39.153 0.4098 5.1503
78.398 1.2188 0.3 ( 3 0 6) 39.199 0.4102 5.1553
78.550 1.2168 0.3 (-1 3 2) 39.275 0.4109 5.1637
78.777 1.2139 0.4 ( 2 3 0) 39.389 0.4119 5.1762
78.903 1.2122 0.4 (-2 3 1) 39.451 0.4125 5.1832
79.815 1.2006 0.9 ( 6 1 2) 39.908 0.4164 5.2332
80.028 1.1980 0.7 (-3 1 7) 40.014 0.4174 5.2447
80.379 1.1937 0.5 ( 2 3 1) 40.189 0.4189 5.2638
80.753 1.1891 0.3 (-2 3 2) 40.376 0.4205 5.2842
80.853 1.1878 0.5 (-1 2 6) 40.426 0.4209 5.2896
81.148 1.1843 0.3 (-5 1 6) 40.574 0.4222 5.3056
81.279 1.1827 0.3 ( 4 1 5) 40.640 0.4228 5.3127
81.531 1.1797 1.0 (-2 2 6) 40.765 0.4238 5.3262
81.904 1.1752 0.3 (-5 2 4) 40.952 0.4254 5.3463
82.034 1.1737 0.4 ( 0 2 6) 41.017 0.4260 5.3533
82.329 1.1702 0.3 ( 5 1 4) 41.165 0.4273 5.3691
82.431 1.1690 0.6 (-6 1 5) 41.216 0.4277 5.3746
82.611 1.1670 1.7 ( 5 2 2) 41.306 0.4285 5.3842
83.224 1.1599 0.5 ( 3 1 6) 41.612 0.4311 5.4169
83.362 1.1583 0.7 (-7 0 4) 41.681 0.4316 5.4243
83.658 1.1550 0.3 ( 3 3 0) 41.829 0.4329 5.4400
84.195 1.1490 2.4 (-3 2 6) 42.098 0.4352 5.4684
84.879 1.1415 0.5 (-6 2 1) 42.439 0.4380 5.5044 |
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