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antill银虫 (正式写手)
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[求助]
求Ce7O12的X射线衍射卡片号（PDF） 已有1人参与
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| 各位好，因为用的是PDF2004，好像在jade中元素查找时找不到Ce7O12的PDF编号，特地在木虫上求助，希望各位有人能提供一下Ce7O12的PDF编号，或者告知27.5度附近衍射角对应的是Ce7O12哪个晶面的衍射！非常感谢各位，谢谢！ |
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antill
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3楼2014-12-17 10:18:58
xhtangxh
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
antill(TonyGeN代发): 金币+10, 感谢参与交流 欢迎常来晶体版交流 2014-12-17 09:45:35
antill: 金币+10, ★★★★★最佳答案 2014-12-17 10:06:32
感谢参与，应助指数 +1
antill(TonyGeN代发): 金币+10, 感谢参与交流 欢迎常来晶体版交流 2014-12-17 09:45:35
antill: 金币+10, ★★★★★最佳答案 2014-12-17 10:06:32
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PDF-2 2004版里有啊，能找到至少5个，常温相三方晶系里约27.6度衍射角对应晶面指标为(003)的晶面，高温相立方晶系里则对应晶面指标为(111)的晶面。 1. Card Information Names: Cerium Oxide Formula: Ce7 O12 PDF Number: 71-567 Quality: calculated Subfiles: inorganic alloy FIZ Cell and Symmetry Information System: rhombohedral Space Group: R-3 (no. 148) a: 10.37 c: 9.67 Density (Dx): 6.486 Z: 3 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 10.43 Comments and Additional Information ICSD Number: 004113 Structure: Disordered structure that cannot adequately be described by numerical parameters TT At least one TF implausible. Temperature factor: ITF TI Neutron diffraction determination of the crystal structure of Ce7 O12 WY f3 b a (R3-H) AF N7O12 Literature References General: Calculated from ICSD using POWD-12++ (1997) Structure: Ray, S.P., Cox, D.E. J. Solid State Chem. 15 333 (1975) Peak Data PeakList 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 13.444 6.5805 0.1 ( 1 0 1) 6.722 0.0760 0.9548 17.087 5.1850 1.7 ( 1 1 0) 8.543 0.0964 1.2118 20.848 4.2572 3.9 ( 0 1 2) 10.424 0.1174 1.4759 21.804 4.0727 0.4 ( 0 2 1) 10.902 0.1228 1.5428 27.652 3.2233 36.2 ( 0 0 3) 13.826 0.1551 1.9493 27.832 3.2028 100.0 ( 2 1 1) 13.916 0.1561 1.9618 29.821 2.9936 1.0 ( 3 0 0) 14.911 0.1670 2.0989 32.194 2.7781 45.0 ( 2 1-2) 16.097 0.1800 2.2617 32.686 2.7375 2.7 ( 1 1-3) 16.343 0.1826 2.2952 34.569 2.5925 0.1 ( 2 2 0) 17.285 0.1929 2.4236 37.247 2.4121 2.0 ( 3 1-1) 18.623 0.2073 2.6049 38.534 2.3344 0.8 ( 1 0 4) 19.267 0.2142 2.6916 40.715 2.2143 1.5 ( 1 3-2) 20.357 0.2258 2.8376 41.117 2.1935 1.7 ( 3 0 3) 20.559 0.2279 2.8645 41.245 2.1870 2.1 ( 4 0 1) 20.622 0.2286 2.8730 42.430 2.1286 1.0 ( 0 2 4) 21.215 0.2349 2.9518 44.453 2.0363 0.1 ( 0 4 2) 22.226 0.2455 3.0855 44.828 2.0202 0.3 ( 2 2-3) 22.414 0.2475 3.1102 44.947 2.0151 0.6 ( 2 3-1) 22.474 0.2481 3.1181 46.055 1.9691 28.0 ( 1 2-4) 23.028 0.2539 3.1908 46.289 1.9598 29.1 ( 1 4 0) 23.144 0.2551 3.2061 47.957 1.8954 2.2 ( 3 2-2) 23.979 0.2638 3.3150 48.085 1.8907 1.7 ( 0 1 5) 24.042 0.2645 3.3233 51.399 1.7763 0.4 ( 2 0 5) 25.700 0.2815 3.5373 51.722 1.7659 0.2 ( 0 5 1) 25.861 0.2831 3.5580 52.722 1.7348 1.6 ( 3 1-4) 26.361 0.2882 3.6219 52.934 1.7283 0.9 ( 3 3 0) 26.467 0.2893 3.6354 54.567 1.6804 11.7 ( 2 1-5) 27.284 0.2976 3.7391 54.774 1.6745 23.8 ( 1 4-3) 27.387 0.2986 3.7522 54.877 1.6716 18.7 ( 4 2-1) 27.438 0.2991 3.7587 55.837 1.6451 1.1 ( 4 0 4) 27.919 0.3039 3.8193 57.102 1.6117 2.4 ( 0 0 6) 28.551 0.3102 3.8986 57.502 1.6014 8.1 ( 4 2 2) 28.751 0.3122 3.9236 57.913 1.5910 1.0 ( 5 1 1) 28.957 0.3143 3.9492 58.842 1.5681 0.1 ( 2 3-4) 29.421 0.3189 4.0069 60.066 1.5390 0.6 ( 1 1-6) 30.033 0.3249 4.0826 60.454 1.5301 1.0 ( 5 1-2) 30.227 0.3268 4.1064 60.563 1.5276 0.7 ( 1 3-5) 30.281 0.3273 4.1132 60.756 1.5232 0.5 ( 3 3-3) 30.378 0.3283 4.1250 61.945 1.4968 0.1 ( 6 0 0) 30.972 0.3341 4.1978 63.428 1.4653 0.1 ( 0 4 5) 31.714 0.3412 4.2880 63.710 1.4595 0.1 ( 3 4-1) 31.855 0.3426 4.3050 64.588 1.4418 0.3 ( 0 5 4) 32.294 0.3468 4.3580 64.774 1.4381 0.6 ( 5 2 0) 32.387 0.3477 4.3692 65.749 1.4191 0.6 ( 3 0 6) 32.875 0.3523 4.4276 66.223 1.4101 1.3 ( 3 2-5) 33.111 0.3546 4.4559 67.357 1.3891 6.0 ( 4 2-4) 33.679 0.3600 4.5233 68.495 1.3687 0.1 ( 2 2 6) 34.247 0.3653 4.5905 68.687 1.3654 0.2 ( 1 0 7) 34.344 0.3662 4.6018 69.138 1.3576 0.6 ( 0 6 3) 34.569 0.3683 4.6283 70.072 1.3417 0.6 ( 1 5-4) 35.036 0.3727 4.6829 71.378 1.3204 0.3 ( 0 2 7) 35.689 0.3787 4.7587 71.544 1.3177 0.4 ( 6 1 2) 35.772 0.3794 4.7683 71.822 1.3133 1.3 ( 2 5-3) 35.911 0.3807 4.7843 72.917 1.2962 0.2 ( 4 4 0) 36.458 0.3857 4.8472 74.028 1.2795 3.2 ( 2 1 7) 37.014 0.3908 4.9106 74.290 1.2757 4.5 ( 2 4-5) 37.145 0.3920 4.9255 74.552 1.2718 7.5 ( 7 0 1) 37.276 0.3931 4.9403 75.371 1.2600 0.1 ( 3 4-4) 37.685 0.3968 4.9866 76.458 1.2448 5.0 ( 1 4-6) 38.229 0.4017 5.0476 76.804 1.2400 4.9 ( 0 7 2) 38.402 0.4032 5.0669 79.228 1.2081 0.7 ( 3 1-7) 39.614 0.4139 5.2010 79.388 1.2060 0.4 ( 6 2-2) 39.694 0.4146 5.2098 79.656 1.2026 0.4 ( 4 4-3) 39.828 0.4157 5.2245 80.032 1.1980 0.3 ( 0 1 8) 40.016 0.4174 5.2449 80.544 1.1916 0.2 ( 6 1-4) 40.272 0.4196 5.2729 80.715 1.1895 0.5 ( 1 7 0) 40.358 0.4203 5.2821 81.611 1.1787 0.2 ( 3 3-6) 40.806 0.4242 5.3306 81.792 1.1766 0.4 ( 4 0 7) 40.896 0.4250 5.3403 82.048 1.1735 0.6 ( 4 3-5) 41.024 0.4261 5.3540 82.590 1.1672 0.2 ( 2 0 8) 41.295 0.4284 5.3831 84.340 1.1474 0.1 ( 2 3-7) 42.170 0.4358 5.4761 84.848 1.1418 0.6 ( 4 5-1) 42.424 0.4379 5.5028 85.134 1.1387 2.5 ( 2 1-8) 42.567 0.4391 5.5178 85.641 1.1333 5.0 ( 5 3-4) 42.820 0.4412 5.5443 85.810 1.1315 2.9 ( 6 3 0) 42.905 0.4419 5.5532 87.035 1.1187 0.6 ( 5 4-2) 43.517 0.4470 5.6167 87.130 1.1177 0.5 ( 1 6-5) 43.565 0.4474 5.6216 87.298 1.1160 1.1 ( 1 7-3) 43.649 0.4480 5.6303 88.174 1.1071 0.1 ( 2 6-4) 44.087 0.4516 5.6753 89.228 1.0968 0.5 ( 0 6 6) 44.614 0.4559 5.7289 89.565 1.0935 0.4 ( 8 0 2) 44.782 0.4572 5.7459 89.913 1.0902 0.5 ( 7 2-1) 44.956 0.4586 5.7635 2. Card Information Names: Cerium Oxide Formula: Ce7 O12 PDF Number: 89-8431 Quality: calculated Subfiles: inorganic alloy FIZ Cell and Symmetry Information System: rhombohedral Space Group: R-3 (no. 148) a: 10.350940 c: 9.638469 Density (Dx): 6.532 Z: 3 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 10.37 Comments and Additional Information ICSD Number: 088754 Temperature factor: ATF TI The structures of C-(Ce2 O3+d), Ce7 O12 and Ce11 O20 Pattern: See PDF 01-089-8432. WY f3 a (R3-R) Analysis: (Ce O1.698)7 AF A7X12 Literature References General: Calculated from ICSD using POWD-12++ ( ) Structure: Kuemmerle, E.A., Heger, G. J. Solid State Chem. 147 485 (1999) Peak Data PeakList 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 13.478 6.5641 0.1 ( 1 0 1) 6.739 0.0762 0.9572 17.119 5.1755 3.2 ( 1 1 0) 8.559 0.0966 1.2140 20.911 4.2447 3.4 ( 0 1 2) 10.455 0.1178 1.4802 21.851 4.0641 0.6 ( 0 2 1) 10.925 0.1230 1.5460 27.744 3.2128 37.0 ( 0 0 3) 13.872 0.1556 1.9557 27.889 3.1964 100.0 ( 1 2-1) 13.945 0.1564 1.9657 29.877 2.9881 0.8 ( 3 0 0) 14.939 0.1673 2.1028 32.271 2.7717 38.3 ( 2 1-2) 16.135 0.1804 2.2669 32.782 2.7296 2.5 ( 1 1-3) 16.391 0.1832 2.3018 34.635 2.5877 0.1 ( 2 2 0) 17.317 0.1932 2.4281 37.321 2.4074 2.5 ( 3 1-1) 18.661 0.2077 2.6099 38.661 2.3270 1.0 ( 1 0 4) 19.331 0.2149 2.7001 40.806 2.2095 1.8 ( 1 3-2) 20.403 0.2263 2.8437 41.225 2.1880 2.3 ( 3 0 3) 20.612 0.2285 2.8716 41.327 2.1828 2.3 ( 4 0 1) 20.664 0.2291 2.8785 42.561 2.1223 0.9 ( 0 2 4) 21.281 0.2356 2.9605 44.551 2.0321 0.2 ( 0 4 2) 22.275 0.2461 3.0920 44.942 2.0153 0.4 ( 2 2-3) 22.471 0.2481 3.1177 45.037 2.0113 0.5 ( 3 2 1) 22.519 0.2486 3.1240 46.191 1.9637 24.5 ( 1 2-4) 23.096 0.2546 3.1997 46.379 1.9561 27.2 ( 1 4 0) 23.190 0.2556 3.2120 48.062 1.8915 2.2 ( 3 2-2) 24.031 0.2643 3.3218 48.249 1.8846 1.4 ( 0 1 5) 24.125 0.2653 3.3339 51.567 1.7709 0.4 ( 2 0 5) 25.784 0.2823 3.5481 51.827 1.7626 0.1 ( 0 5 1) 25.913 0.2837 3.5647 52.869 1.7303 2.0 ( 3 1-4) 26.434 0.2890 3.6313 53.038 1.7252 1.3 ( 3 3 0) 26.519 0.2898 3.6421 54.740 1.6755 10.5 ( 2 1-5) 27.370 0.2984 3.7501 54.906 1.6708 23.4 ( 1 4-3) 27.453 0.2993 3.7605 54.989 1.6685 15.4 ( 4 2-1) 27.494 0.2997 3.7658 55.990 1.6410 1.1 ( 4 0 4) 27.995 0.3047 3.8288 57.306 1.6064 1.9 ( 0 0 6) 28.653 0.3113 3.9113 57.628 1.5982 6.7 ( 2 4-2) 28.814 0.3129 3.9314 58.033 1.5880 1.1 ( 1 5-1) 29.016 0.3149 3.9566 59.000 1.5643 0.1 ( 2 3-4) 29.500 0.3196 4.0167 60.274 1.5342 0.6 ( 1 1-6) 30.137 0.3259 4.0954 60.586 1.5271 1.0 ( 5 1-2) 30.293 0.3274 4.1146 60.746 1.5234 0.8 ( 1 3-5) 30.373 0.3282 4.1244 60.901 1.5199 0.5 ( 3 3-3) 30.451 0.3290 4.1339 62.071 1.4940 0.1 ( 6 0 0) 31.036 0.3347 4.2055 63.616 1.4614 0.1 ( 0 4 5) 31.808 0.3421 4.2994 63.843 1.4568 0.1 ( 3 4-1) 31.922 0.3432 4.3131 64.758 1.4384 0.3 ( 0 5 4) 32.379 0.3476 4.3682 64.908 1.4354 0.7 ( 5 2 0) 32.454 0.3483 4.3772 65.968 1.4149 0.6 ( 3 0 6) 32.984 0.3534 4.4407 66.265 1.4093 0.5 ( 4 3-2) 33.132 0.3548 4.4584 66.417 1.4064 1.3 ( 3 2-5) 33.208 0.3555 4.4675 67.534 1.3858 4.5 ( 4 2-4) 33.767 0.3608 4.5338 68.719 1.3648 0.1 ( 2 2 6) 34.359 0.3663 4.6037 68.941 1.3610 0.1 ( 1 0 7) 34.471 0.3674 4.6167 69.304 1.3547 0.6 ( 0 6 3) 34.652 0.3691 4.6380 70.255 1.3387 0.5 ( 1 5-4) 35.128 0.3735 4.6935 71.637 1.3162 0.4 ( 0 2 7) 35.819 0.3799 4.7737 71.995 1.3106 1.3 ( 5 2-3) 35.997 0.3815 4.7943 73.072 1.2939 0.1 ( 4 4 0) 36.536 0.3864 4.8561 74.293 1.2756 2.5 ( 1 2-7) 37.146 0.3920 4.9256 74.504 1.2725 4.3 ( 2 4-5) 37.252 0.3929 4.9376 74.715 1.2694 6.4 ( 7 0 1) 37.358 0.3939 4.9496 75.569 1.2572 0.1 ( 3 4-4) 37.784 0.3977 4.9977 76.701 1.2414 3.6 ( 1 4-6) 38.350 0.4028 5.0612 76.979 1.2377 4.1 ( 3 5-2) 38.490 0.4040 5.0767 77.122 1.2357 1.7 ( 5 1-5) 38.561 0.4046 5.0847 79.507 1.2045 0.7 ( 3 1-7) 39.753 0.4151 5.2163 79.851 1.2002 0.3 ( 4 4 3) 39.926 0.4166 5.2351 80.345 1.1941 0.3 ( 0 1 8) 40.172 0.4187 5.2620 80.757 1.1890 0.1 ( 6 1-4) 40.378 0.4205 5.2844 80.895 1.1873 0.5 ( 1 7 0) 40.447 0.4211 5.2919 81.870 1.1756 0.1 ( 3 3-6) 40.935 0.4253 5.3445 82.078 1.1732 0.3 ( 4 0 7) 41.039 0.4262 5.3557 82.284 1.1708 0.4 ( 4 3-5) 41.142 0.4271 5.3667 82.910 1.1635 0.2 ( 2 0 8) 41.455 0.4297 5.4002 84.634 1.1442 0.1 ( 2 3-7) 42.317 0.4370 5.4916 85.043 1.1397 0.6 ( 4 5-1) 42.522 0.4387 5.5131 85.462 1.1352 1.7 ( 2 1-8) 42.731 0.4405 5.5350 85.870 1.1308 3.5 ( 5 3-4) 42.935 0.4422 5.5563 86.006 1.1294 2.0 ( 6 3 0) 43.003 0.4427 5.5634 87.243 1.1165 0.6 ( 4 5 2) 43.622 0.4478 5.6275 87.383 1.1151 0.4 ( 1 6-5) 43.691 0.4484 5.6346 87.519 1.1137 1.1 ( 1 7-3) 43.760 0.4489 5.6417 88.412 1.1048 0.1 ( 2 6-4) 44.206 0.4526 5.6874 89.512 1.0940 0.4 ( 0 6 6) 44.756 0.4570 5.7433 89.783 1.0914 0.5 ( 8 0 2) 44.891 0.4581 5.7569 3. Card Information Names: Cerium Oxide Formula: Ce7 O12 PDF Number: 89-8432 Quality: calculated Subfiles: inorganic alloy FIZ Cell and Symmetry Information System: rhombohedral Space Group: R-3 (no. 148) a: 10.340261 c: 9.628526 Density (Dx): 6.552 Z: 3 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 10.30 Comments and Additional Information ICSD Number: 088755 Temperature factor: ATF TI The structures of C-(Ce2 O3+d), Ce7 O12 and Ce11 O20 Pattern: See PDF 01-089-8431. WY f3 a (R3-R) Analysis: (Ce O1.735)7 AF A7X12 Literature References General: Calculated from ICSD using POWD-12++ ( ) Structure: Kuemmerle, E.A., Heger, G. J. Solid State Chem. 147 485 (1999) Peak Data PeakList 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 13.492 6.5573 0.1 ( 1 0 1) 6.746 0.0763 0.9582 17.136 5.1701 3.3 ( 1 1 0) 8.568 0.0967 1.2153 20.932 4.2403 3.4 ( 0 1 2) 10.466 0.1179 1.4818 21.874 4.0600 0.7 ( 0 2 1) 10.937 0.1232 1.5476 27.773 3.2095 36.5 ( 0 0 3) 13.886 0.1558 1.9577 27.919 3.1931 100.0 ( 1 2-1) 13.959 0.1566 1.9677 29.909 2.9850 0.8 ( 3 0 0) 14.955 0.1675 2.1049 32.305 2.7688 38.1 ( 2 1-2) 16.153 0.1806 2.2692 32.817 2.7268 2.3 ( 1 1-3) 16.408 0.1834 2.3042 34.672 2.5851 0.1 ( 2 2 0) 17.336 0.1934 2.4306 37.361 2.4049 2.5 ( 3 1-1) 18.681 0.2079 2.6126 38.703 2.3246 1.0 ( 1 0 4) 19.351 0.2151 2.7029 40.850 2.2072 1.5 ( 1 3-2) 20.425 0.2265 2.8466 41.269 2.1858 2.4 ( 3 0 3) 20.635 0.2288 2.8746 41.372 2.1806 2.3 ( 4 0 1) 20.686 0.2293 2.8814 42.607 2.1202 1.0 ( 0 2 4) 21.304 0.2358 2.9635 44.599 2.0300 0.2 ( 0 4 2) 22.300 0.2463 3.0952 44.991 2.0132 0.4 ( 2 2-3) 22.495 0.2484 3.1209 45.086 2.0092 0.6 ( 2 3-1) 22.543 0.2489 3.1272 46.242 1.9616 23.5 ( 1 2-4) 23.121 0.2549 3.2030 46.430 1.9541 26.8 ( 1 4 0) 23.215 0.2559 3.2153 48.115 1.8895 2.3 ( 3 2-2) 24.057 0.2646 3.3252 48.302 1.8827 1.5 ( 0 1 5) 24.151 0.2656 3.3374 51.625 1.7690 0.4 ( 2 0 5) 25.812 0.2826 3.5518 51.885 1.7608 0.1 ( 0 5 1) 25.942 0.2840 3.5684 52.927 1.7285 1.9 ( 3 1-4) 26.464 0.2893 3.6350 53.097 1.7234 1.2 ( 3 3 0) 26.549 0.2901 3.6459 54.801 1.6738 9.8 ( 2 1-5) 27.401 0.2987 3.7539 54.967 1.6691 22.6 ( 1 4-3) 27.484 0.2996 3.7644 55.050 1.6668 14.9 ( 4 2-1) 27.525 0.3000 3.7697 56.052 1.6393 0.9 ( 4 0 4) 28.026 0.3050 3.8328 57.371 1.6048 1.8 ( 0 0 6) 28.685 0.3116 3.9154 57.693 1.5965 6.5 ( 2 4-2) 28.847 0.3132 3.9355 58.099 1.5864 1.2 ( 5 1 1) 29.049 0.3152 3.9607 59.067 1.5626 0.1 ( 2 3-4) 29.533 0.3200 4.0209 60.343 1.5326 0.5 ( 1 1-6) 30.172 0.3262 4.0996 60.656 1.5255 0.9 ( 5 1-2) 30.328 0.3278 4.1189 60.815 1.5218 0.7 ( 1 3-5) 30.408 0.3285 4.1287 60.971 1.5183 0.4 ( 3 3-3) 30.486 0.3293 4.1382 62.143 1.4925 0.2 ( 6 0 0) 31.071 0.3350 4.2099 63.690 1.4599 0.1 ( 0 4 5) 31.845 0.3425 4.3038 63.917 1.4553 0.1 ( 3 4-1) 31.958 0.3436 4.3175 64.834 1.4369 0.3 ( 0 5 4) 32.417 0.3480 4.3728 64.983 1.4339 0.6 ( 5 2 0) 32.492 0.3487 4.3818 66.045 1.4134 0.6 ( 3 0 6) 33.022 0.3537 4.4453 66.342 1.4078 0.5 ( 4 3-2) 33.171 0.3552 4.4630 66.495 1.4050 1.4 ( 3 2-5) 33.247 0.3559 4.4721 67.613 1.3844 4.2 ( 4 2-4) 33.807 0.3612 4.5385 68.800 1.3634 0.1 ( 2 2-6) 34.400 0.3667 4.6084 69.022 1.3596 0.1 ( 1 0 7) 34.511 0.3678 4.6215 69.386 1.3533 0.6 ( 0 6 3) 34.693 0.3695 4.6428 70.338 1.3373 0.7 ( 1 5-4) 35.169 0.3739 4.6984 71.723 1.3149 0.4 ( 0 2 7) 35.861 0.3803 4.7786 72.081 1.3092 1.2 ( 5 2-3) 36.040 0.3819 4.7992 73.160 1.2925 0.1 ( 4 4 0) 36.580 0.3868 4.8612 74.383 1.2743 2.2 ( 1 2-7) 37.191 0.3924 4.9307 74.594 1.2712 3.9 ( 2 4-5) 37.297 0.3933 4.9427 74.806 1.2681 6.1 ( 5 3-1) 37.403 0.3943 4.9547 75.660 1.2559 0.1 ( 3 4-4) 37.830 0.3981 5.0029 76.794 1.2402 3.3 ( 1 4-6) 38.397 0.4032 5.0664 77.074 1.2364 3.9 ( 3 5-2) 38.537 0.4044 5.0820 77.216 1.2344 1.7 ( 5 1-5) 38.608 0.4050 5.0899 79.605 1.2033 0.6 ( 3 1-7) 39.803 0.4155 5.2217 79.951 1.1990 0.4 ( 4 4-3) 39.975 0.4170 5.2405 80.444 1.1928 0.3 ( 0 1 8) 40.222 0.4192 5.2674 80.858 1.1878 0.2 ( 6 1-4) 40.429 0.4210 5.2899 80.995 1.1861 0.5 ( 1 7 0) 40.498 0.4215 5.2973 81.972 1.1744 0.1 ( 3 3-6) 40.986 0.4257 5.3500 82.181 1.1720 0.3 ( 4 0 7) 41.091 0.4266 5.3612 82.387 1.1696 0.4 ( 4 3-5) 41.194 0.4275 5.3723 83.014 1.1623 0.1 ( 2 0 8) 41.507 0.4302 5.4058 84.742 1.1430 0.1 ( 2 3-7) 42.371 0.4375 5.4972 85.151 1.1385 0.5 ( 4 5-1) 42.576 0.4392 5.5187 85.572 1.1340 1.4 ( 2 1-8) 42.786 0.4409 5.5407 85.981 1.1296 3.2 ( 5 3-4) 42.990 0.4426 5.5621 86.117 1.1282 1.8 ( 6 3 0) 43.059 0.4432 5.5692 87.356 1.1154 0.5 ( 5 4-2) 43.678 0.4483 5.6333 87.496 1.1140 0.3 ( 1 6-5) 43.748 0.4489 5.6405 87.632 1.1126 1.0 ( 1 7-3) 43.816 0.4494 5.6475 88.527 1.1036 0.1 ( 2 6-4) 44.263 0.4531 5.6933 89.629 1.0929 0.4 ( 0 6 6) 44.815 0.4575 5.7492 89.901 1.0903 0.4 ( 8 0 2) 44.951 0.4586 5.7629 4. Card Information Names: Cerium Oxide Formula: Ce7 O12 PDF Number: 89-8433 Quality: calculated Subfiles: inorganic alloy FIZ Cell and Symmetry Information System: rhombohedral Space Group: R-3 (no. 148) a: 10.422607 c: 9.718012 Density (Dx): 6.389 Z: 3 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 10.14 Comments and Additional Information ICSD Number: 088756 Temperature factor: ATF Temperature: REM TEM 769 C. TI The structures of C-(Ce2 O3+d), Ce7 O12 and Ce11 O20 WY f3 a (R3-R) Analysis: (Ce O1.698)7 AF A7X12 Literature References General: Calculated from ICSD using POWD-12++ ( ) Structure: Kuemmerle, E.A., Heger, G. J. Solid State Chem. 147 485 (1999) Peak Data PeakList 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 13.377 6.6136 0.1 ( 1 0 1) 6.688 0.0756 0.9500 17.000 5.2113 2.8 ( 1 1 0) 8.500 0.0959 1.2057 20.744 4.2785 3.2 ( 0 1 2) 10.372 0.1169 1.4686 21.694 4.0932 0.7 ( 0 2 1) 10.847 0.1222 1.5350 27.512 3.2393 36.3 ( 0 0 3) 13.756 0.1544 1.9397 27.689 3.2190 100.0 ( 1 2-1) 13.845 0.1553 1.9519 29.667 3.0087 0.7 ( 3 0 0) 14.834 0.1662 2.0883 32.029 2.7921 39.6 ( 2 1-2) 16.014 0.1791 2.2503 32.519 2.7511 2.2 ( 1 1-3) 16.259 0.1817 2.2838 34.389 2.6056 0.1 ( 2 2 0) 17.195 0.1919 2.4114 37.052 2.4243 2.2 ( 3 1-1) 18.526 0.2062 2.5918 38.336 2.3460 1.0 ( 1 0 4) 19.168 0.2131 2.6782 40.501 2.2254 1.5 ( 1 3-2) 20.251 0.2247 2.8234 40.902 2.2045 2.0 ( 3 0 3) 20.451 0.2268 2.8501 41.028 2.1981 2.0 ( 4 0 1) 20.514 0.2275 2.8585 42.209 2.1392 0.8 ( 0 2 4) 21.105 0.2337 2.9371 44.217 2.0466 0.2 ( 0 4 2) 22.109 0.2443 3.0700 44.591 2.0303 0.4 ( 2 2-3) 22.296 0.2463 3.0947 44.708 2.0253 0.5 ( 2 3-1) 22.354 0.2469 3.1024 45.813 1.9790 23.7 ( 1 2-4) 22.907 0.2527 3.1750 46.042 1.9697 24.7 ( 1 4 0) 23.021 0.2538 3.1899 47.701 1.9050 1.9 ( 3 2-2) 23.850 0.2625 3.2983 47.832 1.9001 1.7 ( 0 1 5) 23.916 0.2632 3.3069 51.126 1.7851 0.3 ( 2 0 5) 25.563 0.2801 3.5198 51.442 1.7749 0.1 ( 0 5 1) 25.721 0.2817 3.5401 52.439 1.7435 1.7 ( 3 1-4) 26.219 0.2868 3.6038 52.646 1.7371 1.0 ( 3 3 0) 26.323 0.2878 3.6171 54.274 1.6888 9.7 ( 2 1-5) 27.137 0.2961 3.7206 54.476 1.6830 20.2 ( 1 4-3) 27.238 0.2971 3.7334 54.577 1.6801 15.7 ( 4 2-1) 27.288 0.2976 3.7397 55.534 1.6534 0.9 ( 4 0 4) 27.767 0.3024 3.8002 56.794 1.6197 1.9 ( 0 0 6) 28.397 0.3087 3.8793 57.186 1.6095 6.5 ( 2 4-2) 28.593 0.3107 3.9038 57.594 1.5991 1.0 ( 5 1 1) 28.797 0.3127 3.9293 58.519 1.5760 0.1 ( 2 3-4) 29.259 0.3173 3.9869 59.738 1.5467 0.5 ( 1 1-6) 29.869 0.3233 4.0623 60.117 1.5378 0.8 ( 5 1-2) 30.059 0.3251 4.0857 60.230 1.5352 0.6 ( 1 3-5) 30.115 0.3257 4.0927 60.419 1.5309 0.5 ( 3 3-3) 30.209 0.3266 4.1043 61.598 1.5044 0.1 ( 6 0 0) 30.799 0.3324 4.1766 63.075 1.4727 0.1 ( 0 4 5) 31.537 0.3395 4.2666 63.351 1.4669 0.1 ( 3 4-1) 31.675 0.3409 4.2833 64.225 1.4490 0.3 ( 0 5 4) 32.113 0.3451 4.3362 64.408 1.4454 0.6 ( 5 2 0) 32.204 0.3459 4.3471 65.382 1.4262 0.5 ( 3 0 6) 32.691 0.3506 4.4057 65.850 1.4172 1.0 ( 3 2-5) 32.925 0.3528 4.4336 66.975 1.3960 4.3 ( 4 2-4) 33.488 0.3582 4.5007 68.107 1.3756 0.1 ( 2 2-6) 34.054 0.3635 4.5677 68.301 1.3721 0.1 ( 1 0 7) 34.150 0.3644 4.5791 68.742 1.3644 0.4 ( 0 6 3) 34.371 0.3665 4.6050 69.669 1.3485 0.5 ( 1 5-4) 34.835 0.3708 4.6594 70.971 1.3269 0.3 ( 0 2 7) 35.486 0.3768 4.7351 71.129 1.3244 0.3 ( 6 1 2) 35.565 0.3775 4.7443 71.405 1.3199 1.1 ( 5 2-3) 35.702 0.3788 4.7602 72.490 1.3028 0.1 ( 4 4 0) 36.245 0.3838 4.8227 73.599 1.2859 2.3 ( 1 2-7) 36.800 0.3888 4.8862 73.856 1.2821 3.4 ( 2 4-5) 36.928 0.3900 4.9009 74.113 1.2783 5.4 ( 7 0 1) 37.056 0.3912 4.9154 74.927 1.2664 0.1 ( 3 4-4) 37.464 0.3948 4.9616 76.008 1.2510 3.4 ( 1 4-6) 38.004 0.3997 5.0224 76.347 1.2463 3.3 ( 3 5-2) 38.173 0.4012 5.0414 78.758 1.2141 0.5 ( 3 1-7) 39.379 0.4118 5.1752 78.910 1.2121 0.3 ( 6 2-2) 39.455 0.4125 5.1835 79.176 1.2087 0.3 ( 4 4-3) 39.588 0.4137 5.1982 79.557 1.2039 0.3 ( 0 1 8) 39.778 0.4153 5.2190 80.058 1.1976 0.1 ( 6 1-4) 40.029 0.4175 5.2464 80.225 1.1955 0.4 ( 1 7 0) 40.112 0.4182 5.2555 81.118 1.1846 0.1 ( 3 3-6) 40.559 0.4221 5.3040 81.300 1.1824 0.3 ( 4 0 7) 40.650 0.4229 5.3138 81.549 1.1795 0.4 ( 4 3-5) 40.775 0.4239 5.3272 82.094 1.1730 0.1 ( 2 0 8) 41.047 0.4263 5.3565 83.825 1.1531 0.1 ( 2 3-7) 41.913 0.4336 5.4489 84.320 1.1476 0.5 ( 4 5-1) 42.160 0.4357 5.4750 84.614 1.1444 1.6 ( 2 1-8) 42.307 0.4369 5.4905 85.109 1.1390 3.0 ( 7 0 4) 42.554 0.4390 5.5165 85.273 1.1372 1.8 ( 6 3 0) 42.637 0.4397 5.5251 86.487 1.1243 0.5 ( 4 5 2) 43.244 0.4447 5.5884 86.750 1.1216 0.9 ( 1 7-3) 43.375 0.4458 5.6020 87.618 1.1127 0.1 ( 2 6-4) 43.809 0.4494 5.6467 88.665 1.1023 0.3 ( 0 6 6) 44.332 0.4536 5.7003 88.993 1.0990 0.3 ( 8 0 2) 44.497 0.4549 5.7170 89.337 1.0957 0.3 ( 7 2-1) 44.668 0.4563 5.7344 89.629 1.0929 0.3 ( 1 3-8) 44.815 0.4575 5.7492 5. Card Information Names: Cerium Oxide Cerium oxide - HT Formula: Ce O1.66 PDF Number: 89-8434 Quality: calculated Subfiles: inorganic alloy FIZ Cell and Symmetry Information System: cubic Space Group: Fm-3m (no. 225) a: 5.5939 Density (Dx): 6.323 Z: 4 Instrument Information Radiation: CuKa1 Wavelength: 1.54060 Instrument(d): calculated Cut Off: 17.7 Instrument(I): calculated I type: peak heights I/Icor: 13.60 Comments and Additional Information ICSD Number: 088757 Temperature: REM TEM 843 C. Temperature factor: ITF TI The structures of C-(Ce2 O3+d), Ce7 O12 and Ce11 O20 WY c a (FM3-M) Analysis: Ce O1.698 AF A4X7 Literature References General: Calculated from ICSD using POWD-12++ ( ) Structure: Kuemmerle, E.A., Heger, G. J. Solid State Chem. 147 485 (1999) Peak Data PeakList 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 27.596 3.2296 100.0 ( 1 1 1) 13.798 0.1548 1.9455 3 31.972 2.7970 30.0 ( 2 0 0) 15.986 0.1788 2.2464 4 45.844 1.9777 35.8 ( 2 2 0) 22.922 0.2528 3.1770 8 54.349 1.6866 26.6 ( 3 1 1) 27.174 0.2965 3.7253 11 56.980 1.6148 5.3 ( 2 2 2) 28.490 0.3096 3.8910 12 66.844 1.3985 3.3 ( 4 0 0) 33.422 0.3575 4.4929 16 73.771 1.2833 6.7 ( 3 3 1) 36.886 0.3896 4.8960 19 76.022 1.2508 4.6 ( 4 2 0) 38.011 0.3997 5.0232 20 84.845 1.1418 4.3 ( 4 2 2) 42.422 0.4379 5.5026 24 |
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