求 JCPDS: 51-1876 和 JCPDS: 51-1878 的数据，金币奉上
求 JCPDS: 51-1876 和 JCPDS: 51-1878 的数据，感激不尽，金币奉上
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京公网安备 11010802022153号
PDF#00-051-1878: QM=Common(+); d=Diffractometer; I=(Unknown)
Strontium Niobium Hydrogen Oxide Hydrate
HSr2Nb3O10!1.5H2O
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= 2T=5.380-68.000 I/Ic(RIR)=
Ref: Level-1 PDF
Orthorhombic, P212121 (19) Z=8 mp=
CELL: 7.794 x 7.7904 x 32.771 <90.0 x 90.0 x 90.0> P.S=
Density(c)=4.275 Density(m)= Mwt= Vol=1989.8
Ref: Ibid.
Strong Lines: 16.41/X 8.20/5 4.10/4 2.82/3 3.28/2 3.17/2 2.05/2 3.90/2
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
5.380 16.4131 100.0 ( 0 0 2) 2.690 0.0305 0.3828
10.780 8.2004 46.0 ( 0 0 4) 5.390 0.0610 0.7662
16.210 5.4636 3.0 ( 0 0 6) 8.105 0.0915 1.1500
21.680 4.0959 35.0 ( 0 0 8) 10.840 0.1221 1.5340
22.800 3.8972 16.0 ( 2 0 0) 11.400 0.1283 1.6123
23.450 3.7906 4.0 ( 2 0 2) 11.725 0.1319 1.6576
25.270 3.5215 6.0 ( 2 0 4) 12.635 0.1420 1.7842
27.200 3.2759 20.0 (0,0,10) 13.600 0.1526 1.9180
28.130 3.1697 18.0 ( 2 0 6) 14.065 0.1577 1.9823
29.800 2.9957 4.0 ( 2 0 7) 14.900 0.1669 2.0974
31.680 2.8221 32.0 ( 2 0 8) 15.840 0.1772 2.2264
32.490 2.7536 7.0 ( 2 2 0) 16.245 0.1816 2.2818
32.770 2.7307 3.0 (0,0,12) 16.385 0.1831 2.3010
32.930 2.7178 1.0 ( 2 2 2) 16.465 0.1840 2.3119
35.770 2.5082 2.0 (2,0,10) 17.885 0.1993 2.5050
36.500 2.4597 1.0 ( 2 2 6) 18.250 0.2033 2.5544
38.420 2.3411 9.0 (0,0,14) 19.210 0.2136 2.6838
39.380 2.2862 1.0 ( 2 2 8) 19.690 0.2187 2.7483
40.300 2.2361 4.0 (2,0,12) 20.150 0.2236 2.8098
42.850 2.1088 2.0 (2,2,10) 21.425 0.2371 2.9795
44.190 2.0479 16.0 (0,0,16) 22.095 0.2442 3.0681
45.140 2.0070 6.0 (2,0,14) 22.570 0.2491 3.1307
46.590 1.9478 6.0 ( 4 0 0) 23.295 0.2567 3.2257
46.800 1.9396 2.0 (2,2,12) 23.400 0.2578 3.2395
46.920 1.9349 1.0 ( 4 0 2) 23.460 0.2584 3.2473
47.950 1.8957 2.0 ( 4 0 4) 23.975 0.2638 3.3144
49.640 1.8351 4.0 ( 4 0 6) 24.820 0.2725 3.4240
50.290 1.8128 14.0 (2,0,16) 25.145 0.2758 3.4659
51.160 1.7840 7.0 (2,2,14) 25.580 0.2803 3.5219
51.930 1.7594 4.0 ( 4 0 8) 25.965 0.2842 3.5712
52.460 1.7429 4.0 ( 4 2 0) 26.230 0.2869 3.6051
54.770 1.6747 2.0 (4,0,10) 27.385 0.2986 3.7519
55.290 1.6602 8.0 ( 4 2 6) 27.645 0.3012 3.7847
55.880 1.6440 5.0 (2,2,16) 27.940 0.3041 3.8218
56.080 1.6386 2.0 (0,0,20) 28.040 0.3051 3.8344
57.440 1.6030 6.0 ( 4 2 8) 28.720 0.3119 3.9196
58.109 1.5861 2.0 (4,0,12) 29.055 0.3152 3.9613
60.099 1.5383 2.0 (4,2,10) 30.050 0.3250 4.0846
60.950 1.5188 2.0 (2,2,18) 30.475 0.3292 4.1368
61.330 1.5103 10.0 (2,0,20) 30.665 0.3311 4.1601
61.909 1.4976 8.0 (4,0,14) 30.955 0.3339 4.1956
63.259 1.4688 4.0 (4,2,12) 31.630 0.3404 4.2777
66.139 1.4117 6.0 (4,0,16) 33.070 0.3542 4.4509
66.889 1.3977 4.0 (4,2,14) 33.445 0.3577 4.4955
68.000 1.3775 1.0 ( 4 4 0) 34.000 0.3630 4.5612，
PDF#00-051-1876: QM=Common(+); d=Diffractometer; I=(Unknown)
Potassium Strontium Niobium Oxide
KSr2Nb3O10
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= 2T=5.880-69.410 I/Ic(RIR)=
Ref: Level-1 PDF
Orthorhombic, P212121 (19) Z=8 mp=
CELL: 7.8215 x 7.765 x 29.989 <90.0 x 90.0 x 90.0> P.S=
Density(c)=4.75 Density(m)= Mwt= Vol=1821.3
Ref: Ibid.
Strong Lines: 2.14/X 3.75/9 15.02/8 7.51/6 2.50/5 3.00/4 1.87/3 5.00/3
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
5.880 15.0185 80.0 ( 0 0 2) 2.940 0.0333 0.4184
11.780 7.5064 60.0 ( 0 0 4) 5.890 0.0666 0.8370
17.720 5.0013 30.0 ( 0 0 6) 8.860 0.1000 1.2563
22.720 3.9107 5.0 ( 2 0 0) 11.360 0.1279 1.6067
22.890 3.8820 3.0 ( 0 2 0) 11.445 0.1288 1.6185
23.490 3.7842 2.0 ( 2 0 2) 11.745 0.1321 1.6604
23.710 3.7496 90.0 ( 0 0 8) 11.855 0.1333 1.6757
24.430 3.6407 5.0 ( 2 0 3) 12.215 0.1373 1.7258
25.670 3.4676 5.0 ( 2 0 4) 12.835 0.1442 1.8120
27.210 3.2747 10.0 ( 2 0 5) 13.605 0.1527 1.9187
28.970 3.0796 26.0 ( 2 0 6) 14.485 0.1624 2.0402
29.770 2.9987 35.0 (0,0,10) 14.885 0.1667 2.0953
30.920 2.8897 25.0 ( 2 0 7) 15.460 0.1730 2.1743
32.480 2.7544 8.0 ( 2 2 0) 16.240 0.1815 2.2811
32.600 2.7445 25.0 ( 2 2 1) 16.300 0.1822 2.2893
33.070 2.7066 10.0 ( 2 0 8) 16.535 0.1847 2.3214
35.480 2.5281 5.0 ( 0 2 9) 17.740 0.1978 2.4854
35.910 2.4988 50.0 (0,0,12) 17.955 0.2001 2.5145
37.230 2.4132 2.0 ( 2 2 6) 18.615 0.2072 2.6037
37.770 2.3799 3.0 (2,0,10) 18.885 0.2101 2.6401
40.300 2.2361 5.0 (2,0,11) 20.150 0.2236 2.8098
42.150 2.1422 100.0 (0,0,14) 21.075 0.2334 2.9331
42.910 2.1060 3.0 (2,0,12) 21.455 0.2374 2.9835
45.620 1.9870 5.0 (2,0,13) 22.810 0.2516 3.1622
46.400 1.9554 10.0 ( 4 0 0) 23.200 0.2557 3.2133
48.050 1.8920 2.0 ( 4 0 4) 24.025 0.2643 3.3209
48.410 1.8788 20.0 (2,0,14) 24.205 0.2661 3.3443
48.530 1.8744 30.0 (0,0,16) 24.265 0.2668 3.3521
51.280 1.7802 15.0 (2,0,15) 25.640 0.2809 3.5296
55.060 1.6666 10.0 (0,0,18) 27.530 0.3000 3.7702
55.610 1.6514 2.0 (2,1,16) 27.805 0.3028 3.8049
55.950 1.6421 1.0 ( 2 4 6) 27.975 0.3045 3.8262
56.110 1.6378 3.0 (4,0,10) 28.055 0.3053 3.8363
57.250 1.6079 5.0 (2,0,17) 28.625 0.3110 3.9077
59.620 1.5495 4.0 (2,2,16) 29.810 0.3227 4.0550
61.830 1.4993 10.0 (0,0,20) 30.915 0.3335 4.1907
63.589 1.4620 3.0 (0,2,19) 31.795 0.3420 4.2977
64.460 1.4444 8.0 (4,0,14) 32.230 0.3462 4.3502
66.760 1.4001 5.0 (2,0,20) 33.380 0.3571 4.4878
67.979 1.3779 3.0 ( 4 4 0) 33.990 0.3629 4.5600
68.819 1.3631 12.0 (0,0,22) 34.410 0.3668 4.6095
69.410 1.3529 3.0 (4,0,16) 34.705 0.3696 4.6441
请问这个能找到原子坐标吗？