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求alpha-MnO2 JCPDS 44-0141 birnessite-MnO2 JCPDS 18-0802 两个PDF卡片 谢谢了 发自小木虫IOS客户端 |
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kaifeng838
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2018-04-02 21:40:56, 1.07 K
2018-04-02 21:41:09, 3.32 K
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2楼2018-04-02 21:41:21
3楼2018-04-03 10:07:23
4楼2018-04-03 10:34:07
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PDF#80-1098: QM=Calculated(C); d=Calculated; I=Calculated Birnessite, syn K.46 Mn1.54 Mn.46 O4 ( H2 O )1.4 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= 2T=12.546-88.750 I/Ic(RIR)=6.30 Ref: Calculated from ICSD using POWD-12++ (1997) Monoclinic - Profile Analysis, C2/m (12) Z=1 mp= CELL: 5.149 x 2.843 x 7.176 <90.0 x 100.76 x 90.0> P.S=mC10.66 (?) Density(c)=3.492 Density(m)=3.36A Mwt=217.08 Vol=103.20 F(30)=637.8(.0015,32/0) Ref: Post, J.E., Veblen, D.R. Am. Mineral., v75 p477 (1990) Strong Lines: 7.05/X 3.53/2 2.12/1 2.41/1 2.25/1 1.79/1 2.53/1 2.48/1 1.89/1 1.45/1 FIZ=068918: ATOM H 1 +1. 2.80 Atoms not located in unit cell. Rietveld profile refinement applied ITF (K-bearing). Crystal structure determinations of synthetic sodium, magnesium andpotassium birnessite using TEM and the Rietveld method 2-Theta d(?) I(f) ( h k l) Theta 1/(2d) 2pi/d n^2 12.546 7.0498 100.0 ( 0 0 1) 6.273 0.0709 0.8913 25.245 3.5249 24.4 ( 0 0 2) 12.622 0.1418 1.7825 35.366 2.5359 3.0 (-2 0 1) 17.683 0.1972 2.4777 35.462 2.5292 4.2 ( 2 0 0) 17.731 0.1977 2.4842 36.215 2.4784 3.9 ( 1 1 0) 18.107 0.2017 2.5352 37.311 2.4081 10.8 (-1 1 1) 18.655 0.2076 2.6092 38.269 2.3499 0.2 ( 0 0 3) 19.135 0.2128 2.6738 39.601 2.2739 1.2 ( 1 1 1) 19.800 0.2199 2.7631 39.763 2.2650 0.8 (-2 0 2) 19.882 0.2208 2.7740 40.024 2.2508 9.1 ( 2 0 1) 20.012 0.2221 2.7915 42.595 2.1207 11.4 (-1 1 2) 21.298 0.2358 2.9627 46.650 1.9454 2.3 ( 1 1 2) 23.325 0.2570 3.2297 47.611 1.9084 1.7 (-2 0 3) 23.806 0.2620 3.2925 47.987 1.8943 3.3 ( 2 0 2) 23.994 0.2640 3.3169 51.009 1.7889 7.8 (-1 1 3) 25.505 0.2795 3.5123 51.831 1.7625 0.9 ( 0 0 4) 25.916 0.2837 3.5650 56.314 1.6323 1.9 ( 1 1 3) 28.157 0.3063 3.8492 57.868 1.5921 1.1 (-2 0 4) 28.934 0.3140 3.9464 58.328 1.5807 2.2 ( 2 0 3) 29.164 0.3163 3.9750 61.674 1.5027 1.7 (-1 1 4) 30.837 0.3327 4.1813 63.308 1.4678 2.1 (-3 1 1) 31.654 0.3406 4.2807 64.163 1.4503 3.1 ( 3 1 0) 32.082 0.3448 4.3324 65.490 1.4241 2.5 (-3 1 2) 32.745 0.3511 4.4122 65.623 1.4215 2.5 ( 0 2 0) 32.812 0.3517 4.4201 66.228 1.4100 0.2 ( 0 0 5) 33.114 0.3546 4.4563 67.116 1.3935 1.1 ( 0 2 1) 33.558 0.3588 4.5091 67.971 1.3780 3.0 ( 3 1 1) 33.985 0.3628 4.5596 67.971 1.3780 3.0 ( 1 1 4) 33.985 0.3628 4.5596 70.011 1.3427 1.0 (-2 0 5) 35.006 0.3724 4.6793 70.565 1.3336 0.5 (-3 1 3) 35.282 0.3749 4.7116 70.565 1.3336 0.5 ( 2 0 4) 35.282 0.3749 4.7116 71.504 1.3183 1.2 ( 0 2 2) 35.752 0.3793 4.7660 73.512 1.2872 0.1 (-4 0 1) 36.756 0.3884 4.8812 74.215 1.2767 0.7 (-1 1 5) 37.108 0.3916 4.9212 74.589 1.2713 0.5 ( 3 1 2) 37.294 0.3933 4.9424 74.818 1.2680 0.9 (-4 0 2) 37.409 0.3943 4.9554 75.049 1.2646 0.6 ( 4 0 0) 37.524 0.3954 4.9684 76.808 1.2400 0.6 ( 2 2 0) 38.404 0.4032 5.0672 76.808 1.2400 0.6 (-2 2 1) 38.404 0.4032 5.0672 78.294 1.2201 0.4 (-3 1 4) 39.147 0.4098 5.1496 78.589 1.2163 0.3 ( 0 2 3) 39.295 0.4111 5.1659 78.918 1.2120 0.5 (-4 0 3) 39.459 0.4125 5.1840 79.373 1.2062 0.1 ( 4 0 1) 39.686 0.4145 5.2089 79.547 1.2040 0.2 (-2 2 2) 39.774 0.4153 5.2185 79.717 1.2019 1.2 ( 2 2 1) 39.859 0.4160 5.2278 81.502 1.1800 0.8 ( 1 1 5) 40.751 0.4237 5.3247 81.926 1.1750 0.5 ( 0 0 6) 40.963 0.4255 5.3475 83.737 1.1541 0.1 ( 3 1 3) 41.869 0.4332 5.4442 84.028 1.1509 0.4 (-2 0 6) 42.014 0.4345 5.4596 84.644 1.1440 0.2 ( 2 0 5) 42.322 0.4370 5.4921 85.015 1.1400 0.4 (-2 2 3) 42.507 0.4386 5.5116 85.295 1.1370 0.8 ( 2 2 2) 42.647 0.4398 5.5263 85.712 1.1325 0.5 (-4 0 4) 42.856 0.4415 5.5481 86.383 1.1254 0.3 ( 4 0 2) 43.191 0.4443 5.5830 88.240 1.1065 0.3 ( 0 2 4) 44.120 0.4519 5.6786 88.552 1.1034 0.2 (-3 1 5) 44.276 0.4532 5.6945 88.750 1.1014 0.1 (-1 1 6) 44.375 0.4540 5.7046 |
5楼2018-04-03 11:12:38
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PDF#14-0644(Deleted): QM=Blank(B); d=(Unknown); I=(Unknown) Manganese Oxide Mn O2 Radiation=CuKa1 Lambda=1.5406 Filter= Calibration= 2T=22.433-92.537 I/Ic(RIR)= Ref: Zwicker et al. Am. Mineral., v47 p246 (1962) Orthorhombic - Powder Diffraction Z= mp= CELL: 6.36 x 10.15 x 4.09 <90.0 x 90.0 x 90.0> P.S=o?0 ($GG) (?) Density(c)=0.547 Density(m)=6.02A Mwt=86.94 Vol=264.03 F(15)=0.8(0.109,162/2) Ref: Schroder. Fortschr. Mineral., Kristallogr. Petrogr., v31 p11 (1953) Strong Lines: 3.96/X 2.42/X 2.32/8 2.12/8 1.64/8 2.60/6 1.61/6 1.42/6 2.05/4 1.36/4 NOTE: Also possibly indexable on tetragonal a=10.20, c=7.98. Sample chemically prepared. 1 Electrolytic material has a more diffuse pattern with the lines missing. Deleted by 17-510. 2-Theta d(?) I(f) ( h k l) Theta 1/(2d) 2pi/d n^2 22.433 3.9600 100.0 ( 1 2 0) 11.216 0.1263 1.5867 34.466 2.6000 60.0 ( 0 3 1) 17.233 0.1923 2.4166 37.120 2.4200 100.0 ( 1 3 1) 18.560 0.2066 2.5964 38.783 2.3200 80.0 ( 2 3 0) 19.391 0.2155 2.7083 42.611 2.1200 80.0 ( 3 0 0) 21.305 0.2358 2.9638 44.141 2.0500 40.0 ( 0 0 2) 22.070 0.2439 3.0650 56.139 1.6370 80.0 ( 1 6 0) 28.070 0.3054 3.8382 57.361 1.6050 60.0 28.681 0.3115 3.9148 62.444 1.4860 10.0 ( 4 0 1) 31.222 0.3365 4.2283 65.597 1.4220 60.0 ( 4 2 1) 32.799 0.3516 4.4186 68.881 1.3620 40.0 ( 0 0 3) 34.441 0.3671 4.6132 72.286 1.3060 10.0 ( 0 6 2) 36.143 0.3828 4.8110 76.082 1.2500 10.0 ( 4 5 0) 38.041 0.4000 5.0265 78.999 1.2110 1.0 ( 0 8 1) 39.499 0.4129 5.1884 82.435 1.1690 1.0 41.218 0.4277 5.3748 88.488 1.1040 1.0 ( 2 7 2) 44.244 0.4529 5.6913 92.537 1.0660 40.0 ( 2 5 3) 46.269 0.4690 5.8942 |
6楼2018-04-03 11:16:11
7楼2018-04-04 09:28:09
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8楼2018-06-25 20:46:23
9楼2022-05-08 12:03:27
kaifeng838
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PDF#72-1982: QM=Calculated; d=Calculated; I=(Unknown) Manganese(IV) oxide MnO2 Radiation=CuKa1 Lambda=1.5406 Filter= Calibration= 2T=12.744-89.167 I/Ic(RIR)=3.52 Ref: Level-1 PDF Tetragonal, I4/m(87) Z=8 mp= CELL: 9.815 x 9.815 x 2.847 <90.0 x 90.0 x 90.0> P.S= Density(c)=4.21 Density(m)= Mwt= Vol=274.3 Ref: Ibid. Strong Lines: 6.94/X 4.91/8 2.39/4 3.10/4 1.83/2 1.53/2 2.45/1 1.35/1 2-Theta d(?) I(f) ( h k l) Theta 1/(2d) 2pi/d n^2 12.744 6.9402 100.0 ( 1 1 0) 6.372 0.0720 0.9053 18.061 4.9075 77.3 ( 2 0 0) 9.030 0.1019 1.2803 25.650 3.4701 2.4 ( 2 2 0) 12.825 0.1441 1.8106 28.739 3.1038 37.8 ( 3 1 0) 14.370 0.1611 2.0244 32.725 2.7343 0.1 ( 1 0 1) 16.362 0.1829 2.2979 36.591 2.4537 13.8 ( 4 0 0) 18.296 0.2038 2.5606 37.627 2.3886 42.1 ( 1 2 1) 18.813 0.2093 2.6305 38.897 2.3134 7.1 ( 3 3 0) 19.449 0.2161 2.7160 41.094 2.1947 2.2 ( 4 2 0) 20.547 0.2278 2.8629 42.035 2.1477 10.5 ( 3 0 1) 21.018 0.2328 2.9256 46.095 1.9675 0.5 ( 2 3 1) 23.048 0.2541 3.1935 47.178 1.9249 4.8 ( 5 1 0) 23.589 0.2598 3.2642 49.895 1.8262 20.2 ( 4 1 1) 24.948 0.2738 3.4405 52.712 1.7351 0.3 ( 4 4 0) 26.356 0.2882 3.6213 54.466 1.6833 0.5 ( 5 3 0) 27.233 0.2970 3.7327 56.183 1.6358 8.8 ( 6 0 0) 28.091 0.3057 3.8410 56.931 1.6161 4.3 ( 5 0 1) 28.466 0.3094 3.8879 59.518 1.5519 2.5 ( 2 6 0) 29.759 0.3222 4.0487 60.240 1.5350 17.7 ( 5 2 1) 30.120 0.3257 4.0933 65.519 1.4235 3.9 ( 0 0 2) 32.760 0.3512 4.4139 66.558 1.4038 0.8 ( 1 6 1) 33.279 0.3562 4.4759 67.061 1.3945 0.9 ( 1 1 2) 33.531 0.3586 4.5058 67.413 1.3880 1.7 ( 7 1 0) 33.706 0.3602 4.5266 68.585 1.3671 1.6 ( 2 0 2) 34.293 0.3657 4.5958 68.933 1.3611 1.7 ( 6 4 0) 34.467 0.3673 4.6163 69.601 1.3497 11.4 ( 4 5 1) 34.801 0.3705 4.6554 71.588 1.3170 0.1 ( 2 2 2) 35.794 0.3797 4.7708 72.586 1.3013 0.2 ( 6 3 1) 36.293 0.3842 4.8282 73.070 1.2939 2.6 ( 3 1 2) 36.535 0.3864 4.8560 73.409 1.2888 1.8 ( 3 7 0) 36.704 0.3880 4.8753 75.522 1.2579 0.1 ( 7 0 1) 37.761 0.3975 4.9951 77.450 1.2313 1.5 ( 4 0 2) 38.725 0.4061 5.1029 78.420 1.2185 1.6 ( 7 2 1) 39.210 0.4103 5.1566 78.892 1.2124 1.3 ( 3 3 2) 39.446 0.4124 5.1826 80.327 1.1943 0.3 ( 2 4 2) 40.164 0.4187 5.2611 83.506 1.1567 0.9 ( 6 6 0) 41.753 0.4323 5.4319 84.135 1.1497 0.8 ( 5 6 1) 42.068 0.4349 5.4653 84.600 1.1445 0.8 ( 5 1 2) 42.300 0.4369 5.4898 84.925 1.1410 1.1 ( 5 7 0) 42.463 0.4382 5.5069 86.967 1.1194 2.0 ( 1 8 1) 43.483 0.4467 5.6132 88.843 1.1005 0.1 ( 4 4 2) 44.421 0.4543 5.7093 89.167 1.0974 0.2 ( 4 8 0) 44.583 0.4556 5.7258 |
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