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1楼 2014-04-03 16:37:24

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感谢参与，应助指数 +1

PDF#13-0162: QM=Common(+); d=Diffractometer; I=(Unknown)
Manganese Oxide
Mn3O4
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= 2T=18.239-89.306 I/Ic(RIR)=
Ref: Level-1 PDF

Cubic, Fd-3m(227) Z=8 mp=
CELL: 8.42 x 8.42 x 8.42 <90.0 x 90.0 x 90.0> P.S=
Density(c)=5.09 Density(m)= Mwt= Vol=597.0
Ref: Ibid.

Strong Lines: 2.54/X 1.49/6 2.98/5 4.86/5 2.10/5 1.62/5 1.10/4 1.28/2
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
18.239 4.8600 50.0 ( 1 1 1) 9.119 0.1029 1.2928 3
29.960 2.9800 50.0 ( 2 2 0) 14.980 0.1678 2.1085 8
35.307 2.5400 100.0 ( 3 1 1) 17.654 0.1969 2.4737 11
36.962 2.4300 10.0 ( 2 2 2) 18.481 0.2058 2.5857 12
43.037 2.1000 50.0 ( 4 0 0) 21.518 0.2381 2.9920 16
53.277 1.7180 20.0 ( 4 2 2) 26.638 0.2910 3.6573 24
56.781 1.6200 50.0 ( 5 1 1) 28.391 0.3086 3.8785 27
62.351 1.4880 60.0 ( 4 4 0) 31.176 0.3360 4.2226 32
73.726 1.2840 20.0 ( 5 3 3) 36.863 0.3894 4.8934 43
78.688 1.2150 10.0 ( 4 4 4) 39.344 0.4115 5.1713 48
86.327 1.1260 10.0 ( 6 4 2) 43.164 0.4440 5.5801 56
89.306 1.0960 40.0 ( 7 3 1) 44.653 0.4562 5.7328 59

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2楼2014-04-04 11:30:47

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【答案】应助回帖

PDF#24-0734: QM=Common(+); d=Diffractometer; I=(Unknown)
Hausmannite, syn
Mn3O4
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= 2T=18.000-114.747 I/Ic(RIR)=1.5
Ref: Level-1 PDF

Tetragonal,  I41/amd(141) Z=4 mp=
CELL: 5.7621 x 5.7621 x 9.4696 <90.0 x 90.0 x 90.0> P.S=
Density(c)=4.84 Density(m)= Mwt= Vol=314.4
Ref: Ibid.

Strong Lines: 2.49/X  2.77/9  1.54/5  3.09/4  4.92/3  1.58/3  1.80/3  2.04/2
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
18.000 4.9240 30.0 ( 1 0 1) 9.000 0.1015 1.2760
28.880 3.0890 40.0 ( 1 1 2) 14.440 0.1619 2.0341
31.015 2.8810 17.0 ( 2 0 0) 15.508 0.1736 2.1809
32.315 2.7680 85.0 ( 1 0 3) 16.158 0.1806 2.2699
36.085 2.4870 100.0 ( 2 1 1) 18.043 0.2010 2.5264
36.449 2.4630 20.0 ( 2 0 2) 18.224 0.2030 2.5510
37.983 2.3670 20.0 ( 0 0 4) 18.991 0.2112 2.6545
44.440 2.0369 20.0 ( 2 2 0) 22.220 0.2455 3.0847
45.396 1.9962 1.0 ( 2 1 3) 22.698 0.2505 3.1476
49.820 1.8288 7.0 ( 2 0 4) 24.910 0.2734 3.4357
50.709 1.7988 25.0 ( 1 0 5) 25.355 0.2780 3.4930
53.859 1.7008 10.0 ( 3 1 2) 26.929 0.2940 3.6943
56.009 1.6405 8.0 ( 3 0 3) 28.004 0.3048 3.8300
58.510 1.5762 25.0 ( 3 2 1) 29.255 0.3172 3.9863
59.840 1.5443 50.0 ( 2 2 4) 29.920 0.3238 4.0686
60.632 1.5260 2.0 ( 2 1 5) 30.316 0.3277 4.1174
63.101 1.4721 3.0 ( 1 1 6) 31.551 0.3397 4.2682
64.651 1.4405 20.0 ( 4 0 0) 32.326 0.3471 4.3618
65.390 1.4260 3.0 ( 3 2 3) 32.695 0.3506 4.4062
67.631 1.3841 4.0 ( 2 0 6) 33.816 0.3612 4.5395
67.731 1.3823 2.0 ( 4 1 1) 33.865 0.3617 4.5455
69.658 1.3487 6.0 ( 3 0 5) 34.829 0.3707 4.6587
72.318 1.3055 1.0 ( 3 3 2) 36.159 0.3830 4.8129
73.433 1.2884 2.0 ( 4 2 0) 36.717 0.3881 4.8767
74.151 1.2777 10.0 ( 4 1 3) 37.075 0.3913 4.9176
76.580 1.2431 6.0 ( 4 2 2) 38.290 0.4022 5.0544
77.510 1.2305 5.0 ( 4 0 4) 38.755 0.4063 5.1062
78.212 1.2212 1.0 ( 3 2 5) 39.106 0.4094 5.1451
80.044 1.1978 5.0 ( 2 1 7) 40.022 0.4174 5.2456
80.391 1.1935 4.0 ( 3 1 6) 40.195 0.4189 5.2645
81.203 1.1836 4.0 ( 0 0 8) 40.602 0.4224 5.3085
84.657 1.1439 2.0 ( 4 3 1) 42.329 0.4371 5.4928
85.797 1.1316 4.0 ( 4 2 4) 42.898 0.4419 5.5525
86.471 1.1245 8.0 ( 4 1 5) 43.235 0.4446 5.5875
88.966 1.0993 2.0 ( 5 1 2) 44.483 0.4548 5.7156
89.420 1.0949 1.0 ( 2 0 8) 44.710 0.4567 5.7386
90.716 1.0826 8.0 ( 4 3 3) 45.358 0.4619 5.8038
92.853 1.0632 3.0 ( 5 2 1) 46.427 0.4703 5.9097
96.496 1.0325 5.0 ( 3 2 7) 48.248 0.4843 6.0854
97.631 1.0235 3.0 ( 2 2 8) 48.816 0.4885 6.1389
98.276 1.0185 6.0 ( 4 4 0) 49.138 0.4909 6.1691
101.022 0.9981 1.0 ( 4 2 6) 50.511 0.5010 6.2951
102.963 0.9845 5.0 ( 4 3 5) 51.482 0.5079 6.3821
104.483 0.9743 5.0 ( 2 1 9) 52.241 0.5132 6.4489
105.545 0.9674 2.0 ( 5 3 2) 52.772 0.5168 6.4949
109.625 0.9425 3.0 ( 6 1 1) 54.813 0.5305 6.6665
110.815 0.9357 2.0 ( 4 4 4) 55.408 0.5344 6.7150
113.287 0.9222 2.0 ( 1 1 10) 56.643 0.5422 6.8133
113.914 0.9189 2.0 ( 5 1 6) 56.957 0.5441 6.8377
114.747 0.9146 6.0 ( 4 0 8) 57.374 0.5467 6.8699

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3楼2014-04-04 11:31:32

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【答案】应助回帖

★ ★ ★ ★ ★
hdlili0943: 金币+5, ★★★很有帮助 2014-04-10 11:06:04

PDF#86-2337: QM=Calculated; d=Calculated; I=(Unknown)
Manganum oxide - $-beta
Mn3O4
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= 2T=18.554-89.955 I/Ic(RIR)=2.24
Ref: Level-1 PDF

Orthorhombic,  Pmab(57) Z=4 mp=
CELL: 9.5564 x 9.7996 x 3.024 <90.0 x 90.0 x 90.0> P.S=
Density(c)=5.366 Density(m)= Mwt= Vol=283.2
Ref: Ibid.

Strong Lines: 2.67/X  2.16/5  2.01/4  2.47/3  2.77/3  2.45/2  1.59/2  2.22/2
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
18.554 4.7782 7.0 ( 2 0 0) 9.277 0.1046 1.3150
20.351 4.3601 0.5 ( 1 2 0) 10.176 0.1147 1.4411
26.026 3.4209 7.4 ( 2 2 0) 13.013 0.1462 1.8367
29.514 3.0240 0.7 ( 0 0 1) 14.757 0.1653 2.0778
30.921 2.8895 10.5 ( 0 1 1) 15.461 0.1730 2.1745
32.341 2.7659 27.6 ( 1 1 1) 16.170 0.1808 2.2717
33.527 2.6707 100.0 ( 3 2 0) 16.763 0.1872 2.3526
34.835 2.5734 3.3 ( 0 2 1) 17.417 0.1943 2.4416
35.089 2.5553 3.3 ( 2 0 1) 17.545 0.1957 2.4589
36.117 2.4848 11.9 ( 1 2 1) 18.059 0.2012 2.5286
36.303 2.4726 30.1 ( 2 1 1) 18.151 0.2022 2.5411
36.651 2.4499 24.0 ( 0 4 0) 18.325 0.2041 2.5647
37.618 2.3891 2.6 ( 4 0 0) 18.809 0.2093 2.6299
37.880 2.3732 0.5 ( 1 4 0) 18.940 0.2107 2.6476
39.751 2.2657 1.5 ( 2 2 1) 19.875 0.2207 2.7732
40.622 2.2191 22.2 ( 0 3 1) 20.311 0.2253 2.8314
41.753 2.1616 52.0 ( 1 3 1) 20.876 0.2313 2.9068
42.041 2.1474 15.6 ( 4 2 0) 21.020 0.2328 2.9259
42.189 2.1402 9.3 ( 3 1 1) 21.095 0.2336 2.9358
45.005 2.0126 38.2 ( 2 3 1) 22.502 0.2484 3.1219
46.737 1.9420 0.1 ( 3 4 0) 23.369 0.2575 3.2355
47.738 1.9036 0.4 ( 0 4 1) 23.869 0.2627 3.3007
48.522 1.8746 2.6 ( 4 0 1) 24.261 0.2667 3.3517
48.736 1.8669 1.2 ( 1 4 1) 24.368 0.2678 3.3656
49.460 1.8412 8.5 ( 4 1 1) 24.730 0.2716 3.4125
50.053 1.8208 1.3 ( 3 3 1) 25.027 0.2746 3.4507
51.264 1.7806 3.3 ( 5 2 0) 25.632 0.2808 3.5287
51.644 1.7684 6.2 ( 2 4 1) 25.822 0.2827 3.5530
52.200 1.7509 0.1 ( 4 2 1) 26.100 0.2856 3.5886
53.531 1.7104 0.9 ( 4 4 0) 26.766 0.2923 3.6734
55.854 1.6447 0.2 ( 0 5 1) 27.927 0.3040 3.8203
56.250 1.6341 0.8 ( 3 4 1) 28.125 0.3060 3.8452
56.556 1.6259 4.0 ( 4 3 1) 28.278 0.3075 3.8644
56.749 1.6209 4.6 ( 1 5 1) 28.374 0.3085 3.8765
57.170 1.6099 0.3 ( 1 6 0) 28.585 0.3106 3.9028
57.790 1.5941 23.7 ( 5 1 1) 28.895 0.3137 3.9415
59.381 1.5551 10.8 ( 2 5 1) 29.690 0.3215 4.0403
59.790 1.5455 5.1 ( 2 6 0) 29.895 0.3235 4.0656
60.267 1.5344 3.7 ( 5 2 1) 30.134 0.3259 4.0950
61.254 1.5120 8.7 ( 0 0 2) 30.627 0.3307 4.1555
61.482 1.5069 5.0 ( 5 4 0) 30.741 0.3318 4.1695
62.058 1.4943 6.1 ( 0 1 2) 31.029 0.3346 4.2047
62.897 1.4764 0.3 ( 1 1 2) 31.449 0.3387 4.2558
63.617 1.4614 14.5 ( 3 5 1) 31.809 0.3421 4.2994
64.010 1.4534 16.9 ( 3 6 0) 32.005 0.3440 4.3232
64.267 1.4482 12.2 ( 5 3 1) 32.134 0.3453 4.3387
64.437 1.4448 5.9 ( 0 2 2) 32.218 0.3461 4.3489
64.825 1.4371 0.3 ( 0 6 1) 32.413 0.3479 4.3723
65.259 1.4285 0.1 ( 1 2 2) 32.630 0.3500 4.3983
65.645 1.4211 0.8 ( 1 6 1) 32.823 0.3518 4.4214
66.268 1.4092 0.3 ( 6 0 1) 33.134 0.3548 4.4586
67.039 1.3949 2.0 ( 6 1 1) 33.520 0.3585 4.5045
67.695 1.3829 0.8 ( 2 2 2) 33.848 0.3615 4.5434
68.074 1.3762 0.3 ( 2 6 1) 34.037 0.3633 4.5657
68.301 1.3721 1.4 ( 0 3 2) 34.151 0.3644 4.5791
69.304 1.3547 1.0 ( 4 5 1) 34.652 0.3691 4.6380
69.413 1.3529 2.4 ( 3 1 2) 34.706 0.3696 4.6444
69.655 1.3487 1.4 ( 5 4 1) 34.827 0.3707 4.6585
70.457 1.3353 7.4 ( 6 4 0) 35.229 0.3744 4.7053
71.666 1.3158 9.6 ( 3 2 2) 35.833 0.3800 4.7753
73.068 1.2939 1.6 ( 6 3 1) 36.534 0.3864 4.8559
73.548 1.2867 3.4 ( 0 4 2) 36.774 0.3886 4.8833
74.155 1.2776 0.1 ( 4 0 2) 37.078 0.3913 4.9178
74.322 1.2752 0.1 ( 1 4 2) 37.161 0.3921 4.9273
74.648 1.2704 1.4 ( 0 7 1) 37.324 0.3936 4.9458
74.890 1.2669 1.8 ( 4 1 2) 37.445 0.3947 4.9595
75.358 1.2602 3.6 ( 3 3 2) 37.679 0.3968 4.9859
76.322 1.2467 2.5 ( 5 5 1) 38.161 0.4011 5.0400
77.080 1.2363 0.8 ( 4 2 2) 38.540 0.4044 5.0823
77.715 1.2278 1.5 ( 2 7 1) 38.858 0.4072 5.1176
77.927 1.2249 2.8 ( 0 8 0) 38.964 0.4082 5.1293
78.185 1.2215 1.2 ( 6 4 1) 39.093 0.4093 5.1436
78.687 1.2150 2.3 ( 1 8 0) 39.344 0.4115 5.1713
79.391 1.2060 0.2 ( 7 2 1) 39.695 0.4146 5.2099
80.095 1.1972 0.4 ( 0 5 2) 40.048 0.4177 5.2484
80.306 1.1946 0.2 ( 8 0 0) 40.153 0.4186 5.2599
80.687 1.1899 0.2 ( 4 3 2) 40.344 0.4202 5.2806
80.957 1.1866 0.9 ( 2 8 0) 40.478 0.4214 5.2952
81.500 1.1800 0.1 ( 3 7 1) 40.750 0.4237 5.3246
81.736 1.1772 0.2 ( 5 1 2) 40.868 0.4247 5.3373
82.973 1.1628 2.2 ( 7 3 1) 41.487 0.4300 5.4036
83.106 1.1613 0.9 ( 2 5 2) 41.553 0.4306 5.4107
83.167 1.1606 1.3 ( 8 2 0) 41.584 0.4308 5.4139
83.877 1.1525 1.0 ( 5 2 2) 41.938 0.4338 5.4516
84.230 1.1486 0.5 ( 5 6 1) 42.115 0.4353 5.4703
84.633 1.1442 0.3 ( 6 5 1) 42.317 0.4370 5.4915
84.988 1.1403 0.2 ( 6 6 0) 42.494 0.4385 5.5102
85.446 1.1353 0.1 ( 0 8 1) 42.723 0.4404 5.5342
85.680 1.1328 0.3 ( 4 4 2) 42.840 0.4414 5.5464
86.193 1.1274 0.1 ( 1 8 1) 43.097 0.4435 5.5731
86.843 1.1206 2.0 ( 3 5 2) 43.422 0.4462 5.6068
87.786 1.1110 0.5 ( 8 0 1) 43.893 0.4500 5.6554
87.947 1.1094 0.2 ( 0 6 2) 43.974 0.4507 5.6636
88.494 1.1039 3.3 ( 2 8 1) 44.247 0.4529 5.6916
89.246 1.0966 3.1 ( 6 0 2) 44.623 0.4560 5.7298
89.955 1.0898 1.3 ( 6 1 2) 44.977 0.4588 5.7656

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4楼2014-04-04 11:32:24

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引用回帖:

4楼: Originally posted by xhtangxh at 2014-04-04 11:32:24
PDF#86-2337: QM=Calculated; d=Calculated; I=(Unknown)
Manganum oxide - $-beta
Mn3O4
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= 2T=18.554-89.955 I/Ic(RIR)=2.24
Ref: Level-1 PDF

Orthor ...

非常感谢！这几天有事没登小木虫，刚看到。

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