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求助一个有Density( m)具体数值的72-8225 卡片，我得版本里导出的卡片没有这个数字，急需友友们 发自小木虫Android客户端 |
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https://musetransfer.com/s/qpxtuggpn ｜ 密码：8461请点击链接获取《无主题 - PDF#01-072-8225》, 有效期至8月16日 找了好几个软件，没细看，你看看能用不 |
2楼2023-08-09 18:41:30
Kamiu_MK
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PDF#01-072-8225(RDB): 质标=定胞(I); d=计算值; I=计算值 Ammonium Vanadium Oxide Hydrate ( N H4 )0.5 ( V2 O5 ) ( H2 O )0.5 射线=CuKá1 波长=1.5406 滤波法= 校准= 2θ=9.759-99.066 I/Ic(K值)=2.23 文献: Kanatzidis, M.G., Petkov, V., Trikalitis, P.N. Chem. Mater., v15 p3337 (2003) 单斜晶系 - 粉末衍射, C2/m (12) Z=4 晶胞: 11.845 x 3.677 x 9.058 <90.0 x 88.635 x 90.0> P.S=mC44.00 密度(计算)=3.367 密度(测量)= 分子量=199.91 体积=394.40 F(30)=999.9(0.0003,33/0) 文献: 出处同上 强峰线: 9.06/X 3.51/3 3.27/3 3.02/2 2.83/2 2.57/2 4.90/2 1.84/2 ANX: AX3. Analysis: H3 N0.5 O5.5 V2. Formula from original source: (N H4)0.5 (V2 O5) (H2 O)0.5. ICSD Collection Code: 98166. Minor Warning: Density calculated using chemical formula and refined composition differ by 1.3373%. No R factors reported/abstracted. Wyckoff Sequence: i8(C12/M1). Unit Cell Data Source: Powder Diffraction. 2θ d(埃) I(f) ( h k l ) θ 1/(2d) 2π/d n^2 9.759 9.0554 100.0 ( 0 0 1) 4.880 0.0552 0.6939 14.951 5.9208 6.3 ( 2 0 0) 7.475 0.0844 1.0612 17.687 5.0105 2.2 ( 2 0 1) 8.843 0.0998 1.2540 18.080 4.9024 15.7 (-2 0 1) 9.040 0.1020 1.2817 19.591 4.5277 10.6 ( 0 0 2) 9.795 0.1104 1.3877 24.443 3.6387 4.6 ( 2 0 2) 12.222 0.1374 1.7268 25.021 3.5560 1.4 (-2 0 2) 12.511 0.1406 1.7669 25.343 3.5116 30.1 ( 1 1 0) 12.671 0.1424 1.7893 27.281 3.2663 25.8 (-1 1 1) 13.641 0.1531 1.9237 29.570 3.0185 20.7 ( 0 0 3) 14.785 0.1656 2.0816 30.164 2.9604 2.0 ( 4 0 0) 15.082 0.1689 2.1224 31.545 2.8339 17.6 ( 4 0 1) 15.772 0.1764 2.2172 32.004 2.7943 8.2 (-4 0 1) 16.002 0.1789 2.2486 32.120 2.7844 10.5 ( 1 1 2) 16.060 0.1796 2.2566 32.347 2.7654 2.1 (-1 1 2) 16.174 0.1808 2.2721 32.959 2.7155 0.1 ( 2 0 3) 16.479 0.1841 2.3138 33.273 2.6905 0.2 ( 3 1 0) 16.637 0.1858 2.3353 33.619 2.6636 0.5 (-2 0 3) 16.810 0.1877 2.3589 34.597 2.5906 12.4 ( 3 1 1) 17.298 0.1930 2.4254 34.914 2.5677 16.6 (-3 1 1) 17.457 0.1947 2.4470 35.814 2.5053 0.2 ( 4 0 2) 17.907 0.1996 2.5080 36.632 2.4512 2.9 (-4 0 2) 18.316 0.2040 2.5633 38.617 2.3296 0.5 ( 3 1 2) 19.308 0.2146 2.6971 39.186 2.2971 0.3 (-3 1 2) 19.593 0.2177 2.7353 39.186 2.2971 0.3 ( 1 1 3) 19.593 0.2177 2.7353 39.472 2.2811 0.6 (-1 1 3) 19.736 0.2192 2.7545 39.785 2.2639 5.1 ( 0 0 4) 19.893 0.2209 2.7754 42.211 2.1392 0.1 ( 4 0 3) 21.106 0.2337 2.9372 42.369 2.1316 0.1 ( 2 0 4) 21.185 0.2346 2.9477 43.082 2.0980 0.5 (-2 0 4) 21.541 0.2383 2.9949 44.720 2.0249 1.0 ( 3 1 3) 22.360 0.2469 3.1030 45.520 1.9911 1.8 (-3 1 3) 22.760 0.2511 3.1557 45.520 1.9911 1.8 ( 5 1 0) 22.760 0.2511 3.1557 45.946 1.9736 9.5 ( 6 0 0) 22.973 0.2533 3.1836 46.463 1.9528 0.2 ( 5 1 1) 23.232 0.2560 3.2175 46.841 1.9380 3.7 (-5 1 1) 23.420 0.2580 3.2421 46.841 1.9380 3.7 ( 6 0 1) 23.420 0.2580 3.2421 47.336 1.9189 0.8 (-6 0 1) 23.668 0.2606 3.2745 47.598 1.9089 0.4 ( 1 1 4) 23.799 0.2619 3.2916 47.925 1.8966 3.9 (-1 1 4) 23.962 0.2636 3.3128 49.540 1.8385 15.4 ( 5 1 2) 24.770 0.2720 3.4176 49.540 1.8385 15.4 ( 0 2 0) 24.770 0.2720 3.4176 50.098 1.8193 1.9 ( 4 0 4) 25.049 0.2748 3.4536 50.622 1.8017 1.9 ( 0 2 1) 25.311 0.2775 3.4873 50.867 1.7936 0.9 (-6 0 2) 25.434 0.2788 3.5031 51.347 1.7780 0.2 (-4 0 4) 25.673 0.2812 3.5339 52.044 1.7558 0.3 ( 2 2 0) 26.022 0.2848 3.5785 52.350 1.7463 2.2 ( 3 1 4) 26.175 0.2863 3.5981 52.438 1.7435 1.4 ( 2 0 5) 26.219 0.2868 3.6037 53.012 1.7260 0.3 ( 2 2 1) 26.506 0.2897 3.6404 53.163 1.7214 1.4 (-2 2 1) 26.582 0.2905 3.6500 53.163 1.7214 1.4 (-2 0 5) 26.582 0.2905 3.6500 53.260 1.7185 2.7 (-3 1 4) 26.630 0.2909 3.6561 53.770 1.7034 1.1 ( 0 2 2) 26.885 0.2935 3.6886 54.930 1.6702 2.1 ( 6 0 3) 27.465 0.2994 3.7620 55.771 1.6470 0.3 (-5 1 3) 27.886 0.3036 3.8150 55.994 1.6409 0.7 ( 2 2 2) 27.997 0.3047 3.8290 56.248 1.6341 1.8 (-6 0 3) 28.124 0.3060 3.8450 56.248 1.6341 1.8 (-2 2 2) 28.124 0.3060 3.8450 57.003 1.6143 0.8 ( 1 1 5) 28.501 0.3097 3.8923 57.362 1.6050 0.1 (-1 1 5) 28.681 0.3115 3.9147 58.758 1.5702 3.8 ( 0 2 3) 29.379 0.3184 4.0016 59.102 1.5618 0.7 ( 4 0 5) 29.551 0.3201 4.0230 59.102 1.5618 0.7 ( 4 2 0) 29.551 0.3201 4.0230 59.925 1.5424 3.8 ( 4 2 1) 29.962 0.3242 4.0738 60.162 1.5368 8.4 (-4 2 1) 30.081 0.3253 4.0884 60.162 1.5368 8.4 ( 7 1 0) 30.081 0.3253 4.0884 60.511 1.5288 1.3 (-4 0 5) 30.256 0.3271 4.1099 61.173 1.5138 1.1 (-2 2 3) 30.586 0.3303 4.1505 61.173 1.5138 1.1 ( 3 1 5) 30.586 0.3303 4.1505 61.355 1.5098 3.7 ( 0 0 6) 30.677 0.3312 4.1617 61.355 1.5098 3.7 (-7 1 1) 30.677 0.3312 4.1617 61.547 1.5055 2.4 ( 6 0 4) 30.773 0.3321 4.1734 62.202 1.4912 0.3 (-3 1 5) 31.101 0.3353 4.2134 62.706 1.4805 0.1 ( 8 0 0) 31.353 0.3377 4.2441 62.706 1.4805 0.1 (-5 1 4) 31.353 0.3377 4.2441 63.166 1.4708 1.2 (-6 0 4) 31.583 0.3400 4.2720 63.166 1.4708 1.2 (-4 2 2) 31.583 0.3400 4.2720 63.446 1.4650 1.6 ( 8 0 1) 31.723 0.3413 4.2890 63.446 1.4650 1.6 ( 7 1 2) 31.723 0.3413 4.2890 63.916 1.4553 0.3 (-2 0 6) 31.958 0.3436 4.3174 63.916 1.4553 0.3 (-8 0 1) 31.958 0.3436 4.3174 64.388 1.4458 0.1 (-7 1 2) 32.194 0.3458 4.3459 65.332 1.4272 1.3 ( 0 2 4) 32.666 0.3503 4.4026 65.863 1.4169 0.1 ( 8 0 2) 32.932 0.3529 4.4344 66.918 1.3971 0.1 (-8 0 2) 33.459 0.3579 4.4972 67.071 1.3943 0.1 ( 4 2 3) 33.536 0.3586 4.5063 67.187 1.3922 0.1 ( 2 2 4) 33.594 0.3591 4.5132 67.767 1.3817 1.2 (-2 2 4) 33.884 0.3619 4.5475 67.767 1.3817 1.2 ( 7 1 3) 33.884 0.3619 4.5475 69.132 1.3577 1.2 (-7 1 3) 34.566 0.3683 4.6278 69.132 1.3577 1.2 ( 4 0 6) 34.566 0.3683 4.6278 69.388 1.3533 0.7 ( 5 1 5) 34.694 0.3695 4.6428 69.864 1.3453 3.4 ( 6 2 0) 34.932 0.3717 4.6706 70.076 1.3417 1.8 ( 8 0 3) 35.038 0.3727 4.6830 70.553 1.3338 1.1 ( 6 2 1) 35.277 0.3749 4.7108 70.674 1.3318 0.6 (-4 0 6) 35.337 0.3754 4.7178 70.937 1.3275 0.4 (-6 2 1) 35.469 0.3766 4.7331 70.937 1.3275 0.4 (-5 1 5) 35.469 0.3766 4.7331 71.061 1.3255 0.4 ( 3 1 6) 35.530 0.3772 4.7402 71.475 1.3188 0.1 (-6 0 5) 35.738 0.3791 4.7642 71.611 1.3167 0.1 (-8 0 3) 35.805 0.3797 4.7720 72.207 1.3073 0.1 (-3 1 6) 36.103 0.3825 4.8064 73.119 1.2932 0.8 ( 4 2 4) 36.559 0.3866 4.8587 73.119 1.2932 0.8 ( 0 0 7) 36.559 0.3866 4.8587 73.315 1.2902 0.4 ( 0 2 5) 36.658 0.3875 4.8699 73.738 1.2839 0.5 ( 7 1 4) 36.869 0.3895 4.8940 73.738 1.2839 0.5 (-6 2 2) 36.869 0.3895 4.8940 74.127 1.2781 0.1 (-4 2 4) 37.063 0.3912 4.9161 74.669 1.2701 0.1 ( 2 0 7) 37.334 0.3937 4.9468 75.017 1.2651 0.2 ( 2 2 5) 37.509 0.3952 4.9666 75.450 1.2589 0.9 (-2 0 7) 37.725 0.3972 4.9909 75.450 1.2589 0.9 (-7 1 4) 37.725 0.3972 4.9909 75.642 1.2562 0.5 (-2 2 5) 37.821 0.3980 5.0017 77.086 1.2362 1.1 ( 6 2 3) 38.543 0.4045 5.0825 77.880 1.2256 0.1 (-8 0 4) 38.940 0.4080 5.1267 78.024 1.2237 0.3 (-9 1 1) 39.012 0.4086 5.1346 78.199 1.2214 1.0 (-6 2 3) 39.100 0.4094 5.1443 78.370 1.2192 0.8 ( 1 3 0) 39.185 0.4101 5.1537 78.560 1.2167 0.3 ( 1 1 7) 39.280 0.4110 5.1642 78.853 1.2129 0.1 ( 6 0 6) 39.426 0.4122 5.1803 78.992 1.2111 0.1 (-1 1 7) 39.496 0.4128 5.1880 79.246 1.2079 0.6 (-1 3 1) 39.623 0.4140 5.2019 79.246 1.2079 0.6 ( 1 3 1) 39.623 0.4140 5.2019 79.727 1.2018 0.3 ( 9 1 2) 39.864 0.4160 5.2282 80.198 1.1959 0.1 ( 4 0 7) 40.099 0.4181 5.2539 80.662 1.1902 0.1 (-5 1 6) 40.331 0.4201 5.2791 80.662 1.1902 0.1 ( 4 2 5) 40.331 0.4201 5.2791 80.831 1.1881 0.1 (-9 1 2) 40.415 0.4208 5.2883 81.129 1.1845 0.4 (10,0,0) 40.565 0.4221 5.3045 81.129 1.1845 0.4 ( 7 1 5) 40.565 0.4221 5.3045 81.691 1.1778 0.8 (10,0,1) 40.846 0.4245 5.3348 81.691 1.1778 0.8 ( 1 3 2) 40.846 0.4245 5.3348 81.885 1.1755 0.9 (-4 2 5) 40.943 0.4254 5.3452 81.885 1.1755 0.9 (-4 0 7) 40.943 0.4254 5.3452 82.067 1.1733 0.4 ( 3 1 7) 41.034 0.4261 5.3550 82.301 1.1706 0.3 ( 3 3 0) 41.151 0.4271 5.3675 82.301 1.1706 0.3 (-10,0,1) 41.151 0.4271 5.3675 82.650 1.1665 0.4 ( 0 2 6) 41.325 0.4286 5.3862 82.799 1.1648 0.5 ( 6 2 4) 41.399 0.4293 5.3942 83.051 1.1619 0.8 ( 3 3 1) 41.525 0.4303 5.4076 83.233 1.1598 1.0 (-7 1 5) 41.617 0.4311 5.4173 83.233 1.1598 1.0 (-3 3 1) 41.617 0.4311 5.4173 83.643 1.1552 0.2 ( 9 1 3) 41.822 0.4328 5.4391 83.894 1.1524 0.1 (10,0,2) 41.947 0.4339 5.4524 83.894 1.1524 0.1 ( 8 2 0) 41.947 0.4339 5.4524 84.259 1.1483 0.1 ( 2 2 6) 42.129 0.4354 5.4717 84.259 1.1483 0.1 (-6 2 4) 42.129 0.4354 5.4717 84.432 1.1464 0.1 ( 8 2 1) 42.216 0.4361 5.4808 84.917 1.1411 0.2 (-8 2 1) 42.459 0.4382 5.5064 84.917 1.1411 0.2 (-2 2 6) 42.459 0.4382 5.5064 85.108 1.1390 0.3 (-10,0,2) 42.554 0.4390 5.5164 85.282 1.1371 0.2 (-9 1 3) 42.641 0.4397 5.5255 85.460 1.1352 0.2 ( 3 3 2) 42.730 0.4404 5.5348 85.768 1.1319 0.1 ( 0 0 8) 42.884 0.4417 5.5509 85.768 1.1319 0.1 (-8 0 5) 42.884 0.4417 5.5509 85.823 1.1313 0.1 ( 1 3 3) 42.912 0.4420 5.5538 85.823 1.1313 0.1 (-3 3 2) 42.912 0.4420 5.5538 86.000 1.1295 0.1 (-1 3 3) 43.000 0.4427 5.5630 86.684 1.1223 0.1 ( 8 2 2) 43.342 0.4455 5.5985 87.227 1.1167 0.1 ( 2 0 8) 43.613 0.4477 5.6265 87.653 1.1124 0.1 (-8 2 2) 43.826 0.4495 5.6484 87.749 1.1114 0.1 (10,0,3) 43.874 0.4499 5.6533 88.194 1.1069 0.1 (-2 0 8) 44.097 0.4517 5.6762 89.188 1.0972 0.2 ( 9 1 4) 44.594 0.4557 5.7268 89.519 1.0940 0.1 (-10,0,3) 44.760 0.4571 5.7435 89.519 1.0940 0.1 ( 3 3 3) 44.760 0.4571 5.7435 89.704 1.0922 0.1 ( 4 2 6) 44.852 0.4578 5.7528 90.075 1.0887 0.2 ( 7 1 6) 45.037 0.4593 5.7715 90.075 1.0887 0.2 ( 5 3 0) 45.037 0.4593 5.7715 90.765 1.0822 0.1 ( 5 3 1) 45.383 0.4620 5.8062 91.068 1.0794 0.1 (-5 3 1) 45.534 0.4632 5.8213 91.068 1.0794 0.1 (-4 2 6) 45.534 0.4632 5.8213 91.364 1.0766 0.2 (-9 1 4) 45.682 0.4644 5.8360 91.596 1.0745 0.1 ( 1 3 4) 45.798 0.4653 5.8475 91.838 1.0723 0.3 (-6 2 5) 45.919 0.4663 5.8595 91.838 1.0723 0.3 (-1 3 4) 45.919 0.4663 5.8595 92.042 1.0705 0.2 ( 8 0 6) 46.021 0.4671 5.8696 92.042 1.0705 0.2 (-8 2 3) 46.021 0.4671 5.8696 92.613 1.0654 0.2 ( 4 0 8) 46.306 0.4693 5.8978 92.613 1.0654 0.2 (-7 1 6) 46.306 0.4693 5.8978 93.253 1.0597 0.2 (10,0,4) 46.626 0.4718 5.9292 93.451 1.0580 0.1 ( 0 2 7) 46.726 0.4726 5.9389 94.444 1.0495 0.1 ( 3 1 8) 47.222 0.4764 5.9871 94.444 1.0495 0.1 (-4 0 8) 47.222 0.4764 5.9871 95.045 1.0444 0.1 ( 2 2 7) 47.522 0.4787 6.0160 95.045 1.0444 0.1 (-8 0 6) 47.522 0.4787 6.0160 95.241 1.0428 0.3 ( 3 3 4) 47.620 0.4795 6.0254 95.678 1.0392 0.1 (-10,0,4) 47.839 0.4812 6.0464 95.969 1.0368 0.3 (-3 3 4) 47.984 0.4823 6.0602 95.969 1.0368 0.3 (-3 1 8) 47.984 0.4823 6.0602 96.418 1.0332 0.4 ( 9 1 5) 48.209 0.4840 6.0816 96.418 1.0332 0.4 (11,1,0) 48.209 0.4840 6.0816 96.918 1.0291 0.3 (11,1,1) 48.459 0.4858 6.1053 97.589 1.0239 0.2 (-11,1,1) 48.794 0.4884 6.1368 98.114 1.0198 0.1 (-5 3 3) 49.057 0.4903 6.1614 98.114 1.0198 0.1 (-8 2 4) 49.057 0.4903 6.1614 99.066 1.0125 0.2 (-9 1 5) 49.533 0.4938 6.2056 99.066 1.0125 0.2 ( 1 3 5) 49.533 0.4938 6.2056 |
3楼2023-08-30 08:10:46