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天地一线26

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专业: 结构化学

[求助] 求助Li2B8O13的XRD图谱已有1人参与

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1楼 2014-12-16 20:53:11

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

xhtangxh

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
天地一线26: 金币+20, ★★★很有帮助, 虽然只有数据，没有我想要的XRD图，但仍然谢谢你 2014-12-17 08:45:57

有两种晶型，自己用下面数据作图吧：

1.
Card Information
Names: Lithium Borate
Formula: Li2 B8 O13
PDF Number: 47-339
Quality: star
Subfiles: inorganic

Cell and Symmetry Information
System: orthorhombic Space Group: (no. 0)
a: 15.506 b: 9.723 c: 7.521

Instrument Information
Radiation:          Wavelength:
Instrument(d): Guinier
Instrument(I): densitometer I type: unknown

Comments and Additional Information
Preparation: Prepared by solid state reaction.
Pattern: To replace 00-011-0537 and 00-016-0200.

Literature References
General: Song, Y.-c., Huang, Z.-k. Materials Letters 12 363 (1991)

Peak Data
PeakList
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
14.612 6.0570 40.0 ( 2 1 0) 7.306 0.0825 1.0373
15.938 5.5560 80.0 ( 1 1 1) 7.969 0.0900 1.1309
23.630 3.7620 100.0 ( 0 0 2) 11.815 0.1329 1.6702
24.325 3.6560 80.0 ( 1 0 2) 12.163 0.1368 1.7186
26.322 3.3830 80.0 ( 2 0 2) 13.161 0.1478 1.8573
27.429 3.2490 100.0 ( 4 1 1) 13.714 0.1539 1.9339
29.858 2.9900 100.0 ( 2 3 0) 14.929 0.1672 2.1014
31.761 2.8150 100.0 ( 4 2 1) 15.881 0.1776 2.2320
32.172 2.7800 60.0 ( 2 3 1) 16.086 0.1799 2.2601
36.742 2.4440 100.0 ( 6 0 1) 18.371 0.2046 2.5709
37.933 2.3700 40.0 ( 6 1 1) 18.966 0.2110 2.6511
38.438 2.3400 100.0 ( 2 3 2) 19.219 0.2137 2.6851
40.226 2.2400 60.0 ( 5 3 0) 20.113 0.2232 2.8050
40.643 2.2180 80.0 ( 3 3 2) 20.321 0.2254 2.8328
40.990 2.2000 60.0 ( 3 4 0) 20.495 0.2273 2.8560
42.152 2.1420 60.0 ( 2 2 3) 21.076 0.2334 2.9333
42.929 2.1050 80.0 ( 4 0 3) 21.465 0.2375 2.9849
44.232 2.0460 80.0 ( 3 2 3) 22.116 0.2444 3.0710
46.534 1.9500 80.0 ( 5 0 3) 23.267 0.2564 3.2221
48.348 1.8810 80.0 ( 0 0 4) 24.174 0.2658 3.3403
49.785 1.8300 60.0 ( 2 5 1) 24.893 0.2732 3.4334
50.673 1.8000 60.0 ( 8 2 0) 25.336 0.2778 3.4907
52.584 1.7390 80.0 ( 3 1 4) 26.292 0.2875 3.6131
52.944 1.7280 40.0 ( 0 5 2) 26.472 0.2894 3.6361
53.716 1.7050 80.0 ( 5 4 2) 26.858 0.2933 3.6852
54.370 1.6860 80.0 ( 2 5 2) 27.185 0.2966 3.7267
56.177 1.6360 80.0 ( 7 1 3) 28.088 0.3056 3.8406
57.244 1.6080 80.0 ( 5 0 4) 28.622 0.3109 3.9075
57.913 1.5910 40.0 ( 4 4 3) 28.957 0.3143 3.9492
62.027 1.4950 20.0 ( 4 6 0) 31.013 0.3344 4.2028
62.398 1.4870 40.0 ( 0 4 4) 31.199 0.3362 4.2254
67.748 1.3820 60.0 ( 9 4 1) 33.874 0.3618 4.5464
69.229 1.3560 60.0 ( 1 6 3) 34.615 0.3687 4.6336
70.357 1.3370 40.0 ( 8 1 4) 35.178 0.3740 4.6995

2.
Card Information
Names: Lithium Borate
Formula: Li2 B8 O13
PDF Number: 52-136
Quality: star
Subfiles: inorganic

Cell and Symmetry Information
System: monoclinic Space Group: (no. 0)
a: 17.764 b: 7.789 c: 9.667
b: 100.95

Instrument Information
Radiation: CuKa1 Wavelength: 1.5406    Filter: Ge
Instrument(d): diffractometer Standard: Si
Instrument(I): diffractometer I type: unknown

Comments and Additional Information
Preparation: Li B5 O6 ( O H )4 !3 H2 O was heated several hours at 600 C. The compound can also be obtained by heating mixtures of Li O H ! H2 O and H3 B O3 or a mixture of Li B2 O3 ( O H ) ! H2 O and Li B5 O6 ( O H )4 !3 H2 O or a mixture of Li B2 O3 ( O H ) ! H2 O and H3 B O3.

Literature References
General: Betourne, E., Touboul, M. J. Alloys Compds.  255 91 (1997)

Peak Data
PeakList
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
10.171 8.6900 17.0 ( 2 0 0) 5.085 0.0575 0.7230
14.715 6.0152 30.0 ( 0 1 1) 7.357 0.0831 1.0446
15.262 5.8008 42.0 (-2 1 0) 7.631 0.0862 1.0832
16.133 5.4895 9.0 ( 1 1 1) 8.066 0.0911 1.1446
16.867 5.2522 6.0 (-2 1 1) 8.433 0.0952 1.1963
18.686 4.7449 18.0 ( 0 0 2) 9.343 0.1054 1.3242
18.886 4.6948 10.0 ( 2 1 1) 9.443 0.1065 1.3383
19.059 4.6528 4.0 ( 3 1 0) 9.529 0.1075 1.3504
19.508 4.5467 32.0 (-2 0 2) 9.754 0.1100 1.3819
19.901 4.4576 82.0 (-3 1 1) 9.951 0.1122 1.4095
20.294 4.3722 13.0 ( 1 0 2) 10.147 0.1144 1.4371
20.329 4.3647 4.0 ( 4 0 0) 10.165 0.1146 1.4395
20.752 4.2767 8.0 (-4 0 1) 10.376 0.1169 1.4692
21.681 4.0955 7.0 (-1 1 2) 10.841 0.1221 1.5342
22.497 3.9488 99.0 ( 3 1 1) 11.249 0.1266 1.5912
22.818 3.8939 11.0 ( 0 2 0) 11.409 0.1284 1.6136
22.957 3.8707 37.0 ( 2 0 2) 11.479 0.1292 1.6233
23.313 3.8124 13.0 ( 1 1 2) 11.657 0.1312 1.6481
23.680 3.7541 8.0 (-4 1 1) 11.840 0.1332 1.6737
25.030 3.5546 71.0 (-2 2 0) 12.515 0.1407 1.7676
25.684 3.4656 6.0 ( 2 1 2) 12.842 0.1443 1.8130
26.047 3.4181 29.0 (-2 2 1) 13.024 0.1463 1.8382
26.630 3.3446 20.0 ( 4 1 1) 13.315 0.1495 1.8786
27.433 3.2485 100.0 ( 2 2 1) 13.717 0.1539 1.9342
28.151 3.1672 6.0 (-3 2 1) 14.076 0.1579 1.9838
28.789 3.0985 7.0 ( 3 1 2) 14.395 0.1614 2.0278
30.086 2.9678 18.0 ( 3 2 1) 15.043 0.1685 2.1171
30.328 2.9447 3.0 ( 4 0 2) 15.164 0.1698 2.1337
30.755 2.9048 6.0 (-4 2 0) 15.378 0.1721 2.1631
30.991 2.8832 30.0 (-4 2 1) 15.496 0.1734 2.1793
31.789 2.8126 6.0 ( 1 1 3) 15.895 0.1778 2.2340
32.478 2.7545 13.0 ( 4 1 2) 16.239 0.1815 2.2811
32.898 2.7203 5.0 (-6 0 2) 16.449 0.1838 2.3098
33.896 2.6424 5.0 ( 6 0 1) 16.948 0.1892 2.3778
34.657 2.5861 3.0 ( 5 0 2) 17.329 0.1933 2.4296
34.895 2.5690 3.0 (-1 3 0) 17.448 0.1946 2.4457
35.152 2.5508 9.0 ( 3 2 2) 17.576 0.1960 2.4632
35.836 2.5037 6.0 ( 0 3 1) 17.918 0.1997 2.5096
36.067 2.4882 11.0 ( 2 3 0) 18.034 0.2009 2.5252
36.348 2.4696 4.0 (-5 1 3) 18.174 0.2025 2.5442
36.463 2.4621 3.0 ( 1 3 1) 18.232 0.2031 2.5520
36.586 2.4541 8.0 ( 5 1 2) 18.293 0.2037 2.5603
36.789 2.4410 2.0 (-2 3 1) 18.394 0.2048 2.5740
37.307 2.4083 6.0 (-2 0 4) 18.653 0.2076 2.6090
39.314 2.2899 5.0 (-4 2 3) 19.657 0.2184 2.7439
39.505 2.2792 4.0 ( 0 3 2) 19.752 0.2194 2.7567
40.398 2.2309 22.0 (-4 3 0) 20.199 0.2241 2.8165
40.986 2.2002 5.0 ( 1 1 4) 20.493 0.2272 2.8557
41.266 2.1859 4.0 ( 6 2 1) 20.633 0.2287 2.8744
41.642 2.1671 4.0 (-7 0 3) 20.821 0.2307 2.8994
41.868 2.1559 8.0 ( 2 3 2) 20.934 0.2319 2.9144
42.154 2.1419 5.0 (-8 0 2) 21.077 0.2334 2.9334
42.557 2.1226 6.0 (-7 2 1) 21.278 0.2356 2.9602
43.051 2.0993 5.0 ( 8 1 0) 21.525 0.2382 2.9929
43.356 2.0853 11.0 (-5 3 1) 21.678 0.2398 3.0131
43.789 2.0657 3.0 (-8 1 2) 21.894 0.2421 3.0417
43.937 2.0591 3.0 ( 3 3 2) 21.968 0.2428 3.0515
45.400 1.9960 1.0 ( 3 1 4) 22.700 0.2505 3.1478
45.675 1.9847 1.0 ( 7 1 2) 22.837 0.2519 3.1659
45.865 1.9769 1.0 ( 1 2 4) 22.932 0.2529 3.1783
46.149 1.9654 10.0 ( 1 3 3) 23.074 0.2544 3.1969
46.589 1.9478 5.0 ( 0 4 0) 23.294 0.2567 3.2257
47.454 1.9143 14.0 (-3 0 5) 23.727 0.2612 3.2822
47.753 1.9030 8.0 ( 6 1 3) 23.876 0.2627 3.3017
48.146 1.8884 1.0 ( 1 4 1) 24.073 0.2648 3.3272
48.435 1.8778 10.0 (-6 3 2) 24.217 0.2663 3.3460
49.294 1.8471 2.0 (-3 4 0) 24.647 0.2707 3.4017
49.545 1.8383 6.0 (-5 3 3) 24.772 0.2720 3.4179
49.748 1.8313 8.0 ( 9 0 1) 24.874 0.2730 3.4310

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