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PDF#00-054-0839(RDB): 質(zhì)標(biāo)=定胞(I); d=衍射儀; I=衍射儀 Sodium Nickel Aluminum Manganese Oxide Na0.5 Ni0.15 Al0.2 Mn0.65 O2 射線=CuKá1 波長(zhǎng)=1.5406 濾波法=Graph 校準(zhǔn)=外部(Al2O3) 2θ=15.738-92.069 I/Ic(K值)= 文獻(xiàn): Avdeev, M., Kharton, V., Dept. of Ceramics and Glass Engineering, Univ. of Aveiro, Portugal. ICDD Grant-in-Aid (2002) 菱面晶系 - (未知), R-3m (166) Z=3 晶胞: 2.8657 x 2.8657 x 16.9202 <90.0 x 90.0 x 120.0> P.S=hR3.50 密度(計(jì)算)=3.867 密度(測(cè)量)= 分子量=93.4 體積=120.34 F(21)=23.7(0.035,25/0) 文獻(xiàn): 出處同上 強(qiáng)峰線: 5.63/X 2.00/1 2.38/1 2.82/1 1.43/1 2.46/1 1.39/1 General Comments: Cell parameters generated by least squares refinement. Sample Preparation: 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. Unit Cell: Reference reports: a=2.8674(5), c=16.9289(2). 2θ d(埃) I(f) ( h k l ) θ 1/(2d) 2π/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 |

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好的,謝謝!不完全對(duì)應(yīng)也可以的,只要是P3相結(jié)構(gòu)就行,我就是用來畫個(gè)晶體結(jié)構(gòu)圖,所以類似結(jié)構(gòu)的就可以了,不知道你那里能找到嗎?可以有償 發(fā)自小木蟲Android客戶端 |
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