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[求助]
PDF: 00-054-0894和PDF: 00-054-0839这两个的txt文件和cif文件 已有1人参与
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如题，求 PDF: 00-054-0894和PDF: 00-054-0839这两个的txt文件和cif文件，谢谢  |
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，大神能给找到吗？谢谢 
3楼2019-04-25 16:13:35
小風
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2楼2019-04-25 16:08:00
ddtongda 
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【答案】应助回帖
感谢参与，应助指数 +1
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PDF#00-054-0894: QM=Star(S); d=Diffractometer; I=Diffractometer Sodium Nickel Manganese Oxide Na0.67Ni0.33Mn0.67O2 Black Radiation=CuKa1 Lambda=1.5406 Filter=Graph Calibration=External(Al2O3) 2T=15.791-118.912 I/Ic(RIR)= Ref: Nalbandyan, V., Shukaev, I., Smirnova, O., Rostov State Univ., Rostov-na-Donu, Russia. ICDD Grant-in-Aid (2002) Hexagonal - Powder Diffraction, P63/mmc (194) Z=2 mp= CELL: 2.8846 x 2.8846 x 11.1829 <90.0 x 90.0 x 120.0> P.S=hP7.34 (?) Density(c)=4.269 Density(m)=4.27A Mwt=103.58 Vol=80.59 F(24)=38.3(.0169,37/0) Ref: Ibid. Strong Lines: 5.61/X 2.28/2 1.86/1 2.80/1 2.50/1 1.44/1 2.08/1 1.49/1 NOTE: P2 type according to Hagenmuller's notation. Manganese and nickel hydroxides were coprecipitated from a nitrate solution using sodium hydroxide and hydrogen peroxide, washed, dried, mixed with sodium carbonate and sodium nitrate, fired at 700, 900 and 950 C with intermediate regrindings and quenched. Neutron diffraction study showed superlattice ordering of Mn and Ni with a=5.00, S.G.=`P63`, Lu, Z. et al., Chem. Mater., 12 3583 (2000). Solid state sodium ion conductor. Nax Nix/2 Mn1-x/2 O2 is homogeneous between x=0.5 and x=0.8. Pattern taken at 30 C. 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 15.791 5.6076 100.0 ( 0 0 2) 7.895 0.0892 1.1205 31.951 2.7988 12.5 ( 0 0 4) 15.975 0.1786 2.2450 35.904 2.4992 10.5 ( 1 0 0) 17.952 0.2001 2.5141 36.814 2.4395 0.8 ( 1 0 1) 18.407 0.2050 2.5756 39.455 2.2820 16.5 ( 0 1 2) 19.727 0.2191 2.7533 43.562 2.0759 6.5 ( 1 0 3) 21.781 0.2409 3.0267 48.838 1.8633 13.9 ( 1 0 4) 24.419 0.2683 3.3721 62.080 1.4939 5.2 ( 1 0 6) 31.040 0.3347 4.2060 64.562 1.4423 6.8 ( 1 1 0) 32.281 0.3467 4.3563 66.934 1.3968 4.8 ( 1 1 2) 33.467 0.3580 4.4982 73.868 1.2819 1.6 ( 1 1 4) 36.934 0.3900 4.9014 76.160 1.2489 0.7 ( 2 0 0) 38.080 0.4003 5.0308 78.354 1.2194 2.7 ( 2 0 2) 39.177 0.4100 5.1528 81.144 1.1843 0.3 ( 0 2 3) 40.572 0.4222 5.3052 84.972 1.1405 1.5 ( 0 2 4) 42.486 0.4384 5.5092 87.046 1.1186 0.1 (0,0,10) 43.523 0.4470 5.6172 87.659 1.1123 0.1 ( 1 0 9) 43.829 0.4495 5.6487 95.863 1.0376 0.9 ( 2 0 6) 47.932 0.4819 6.0552 98.018 1.0205 0.4 (0,1,10) 49.009 0.4900 6.1569 100.248 1.0037 0.9 ( 1 1 8) 50.124 0.4981 6.2598 109.370 0.9440 0.5 ( 1 2 0) 54.685 0.5297 6.6559 111.646 0.9311 1.4 ( 2 1 2) 55.823 0.5370 6.7482 114.611 0.9153 0.1 ( 2 1 3) 57.305 0.5463 6.8645 118.912 0.8944 1.1 ( 2 1 4) 59.456 0.5590 7.0250 |
4楼2019-04-27 15:12:14
ddtongda
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【答案】应助回帖
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PDF#00-054-0839: QM=Indexed(I); d=Diffractometer; I=Diffractometer Sodium Nickel Aluminum Manganese Oxide Na0.5Ni0.15Al0.2Mn0.65O2 Radiation=CuKa1 Lambda=1.5406 Filter=Graph Calibration=External(Al2O3) 2T=15.738-92.069 I/Ic(RIR)= Ref: Avdeev, M., Kharton, V., Dept. of Ceramics and Glass Engineering, Univ. of Aveiro, Portugal. ICDD Grant-in-Aid (2002) Rhombohedral - (Unknown), R-3m (166) Z=3 mp= CELL: 2.8657 x 2.8657 x 16.9202 <90.0 x 90.0 x 120.0> P.S=hR3.5 (?) Density(c)=3.860 Density(m)=3.99A Mwt=93.40 Vol=120.34 F(21)=23.7(0.035,25/0) Ref: Ibid. Strong Lines: 5.63/X 2.00/1 2.38/1 2.82/1 1.43/1 2.46/1 1.39/1 NOTE: Manganese acetate, nickel acetate and aluminum nitrate were mixed in appropriate ratio in an aqueous solution, evaporated, ground, mixed with sodium nitrate, pressed and calcined at 970 K for 1.5 hours and 1000 K for 20 hours with intermediate regrinding. Reference reports: a=2.8674(5), c=16.9289(2). Cell parameters generated by least squares refinement. 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 15.738 5.6264 100.0 ( 0 0 3) 7.869 0.0889 1.1167 31.749 2.8161 11.0 ( 0 0 6) 15.874 0.1775 2.2311 36.524 2.4582 8.0 ( 1 0 1) 18.262 0.2034 2.5560 37.743 2.3815 14.0 ( 0 1 2) 18.871 0.2099 2.6383 42.170 2.1412 1.0 ( 1 0 4) 21.085 0.2335 2.9344 45.277 2.0012 14.0 ( 0 1 5) 22.638 0.2498 3.1397 48.520 1.8748 1.0 ( 0 0 9) 24.260 0.2667 3.3514 52.880 1.7300 2.0 ( 1 0 7) 26.440 0.2890 3.6319 57.175 1.6098 2.0 ( 0 1 8) 28.588 0.3106 3.9031 65.102 1.4317 9.0 ( 1 1 0) 32.551 0.3492 4.3888 66.270 1.4092 1.0 (0,0,12) 33.135 0.3548 4.4586 67.388 1.3885 6.0 ( 1 1 3) 33.694 0.3601 4.5251 72.189 1.3075 1.0 (0,1,11) 36.095 0.3824 4.8054 74.142 1.2779 2.0 ( 1 1 6) 37.071 0.3913 4.9170 76.999 1.2374 1.0 ( 0 2 1) 38.500 0.4041 5.0777 77.700 1.2280 1.0 ( 2 0 2) 38.850 0.4072 5.1166 82.845 1.1643 1.0 ( 2 0 5) 41.422 0.4294 5.3966 83.794 1.1535 1.0 (1,0,13) 41.897 0.4335 5.4471 86.149 1.1279 1.0 (0,0,15) 43.074 0.4433 5.5707 88.429 1.1046 1.0 ( 0 2 7) 44.214 0.4526 5.6881 92.069 1.0702 1.0 ( 2 0 8) 46.035 0.4672 5.8710 |
5楼2019-04-27 15:13:44