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2Â¥2014-09-17 18:29:00
Terminology
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ÄãÕÒÕÒÕâ¸ö¿¨Æ¬¿´¿´£º PDF#76-1003: QM=Calculated(C); d=Calculated; I=Calculated Molybdite, syn Mo O3 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= 2T=12.768-89.398 I/Ic(RIR)=4.75 Ref: Calculated from ICSD using POWD-12++ (1997) Orthorhombic - (Unknown), Pbnm (62) Z=4 mp= CELL: 3.9628 x 13.855 x 3.6964 <90.0 x 90.0 x 90.0> P.S=oP16 (Mo O3) Density(c)=4.710 Density(m)=7.71A Mwt=143.94 Vol=202.95 F(30)=999.9(.0008,31/0) Ref: Kihlborg, L. Ark. Kemi, v21 p357 (1963) Strong Lines: 3.26/X 3.81/8 6.93/4 3.46/4 3.44/3 2.65/3 2.31/2 1.85/2 2.70/1 1.73/1 FIZ=035076: ITF Prepared by resublimed at about 1073 K. Calc. density unusual but tolerable. Least squares refinement of the crystal structure of molybdenum trioxide c4 (PBNM) AX3 2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2 12.768 6.9275 37.1 ( 0 2 0) 6.384 0.0722 0.9070 23.328 3.8100 76.1 ( 1 1 0) 11.664 0.1312 1.6491 25.698 3.4637 36.6 ( 0 4 0) 12.849 0.1444 1.8140 25.880 3.4398 27.5 ( 1 2 0) 12.940 0.1454 1.8266 27.324 3.2612 100.0 ( 0 2 1) 13.662 0.1533 1.9267 29.681 3.0074 6.7 ( 1 3 0) 14.840 0.1663 2.0892 33.114 2.7030 14.9 ( 1 0 1) 16.557 0.1850 2.3245 33.757 2.6530 26.3 ( 1 1 1) 16.878 0.1885 2.3683 34.358 2.6079 2.9 ( 1 4 0) 17.179 0.1917 2.4093 35.488 2.5275 7.3 ( 0 4 1) 17.744 0.1978 2.4859 35.624 2.5181 4.6 ( 1 2 1) 17.812 0.1986 2.4952 38.561 2.3328 8.4 ( 1 3 1) 19.280 0.2143 2.6934 38.972 2.3092 20.5 ( 0 6 0) 19.486 0.2165 2.7210 39.656 2.2709 13.1 ( 1 5 0) 19.828 0.2202 2.7668 42.381 2.1309 7.4 ( 1 4 1) 21.191 0.2346 2.9485 45.421 1.9951 1.8 ( 1 6 0) 22.711 0.2506 3.1492 45.754 1.9814 7.7 ( 2 0 0) 22.877 0.2523 3.1711 46.247 1.9614 8.4 ( 2 1 0) 23.123 0.2549 3.2034 46.322 1.9584 9.6 ( 0 6 1) 23.161 0.2553 3.2083 46.918 1.9349 0.9 ( 1 5 1) 23.459 0.2584 3.2473 47.700 1.9050 0.6 ( 2 2 0) 23.850 0.2625 3.2982 49.262 1.8482 15.3 ( 0 0 2) 24.631 0.2705 3.3996 50.051 1.8209 9.3 ( 2 3 0) 25.026 0.2746 3.4506 51.107 1.7857 1.4 ( 0 2 2) 25.553 0.2800 3.5185 51.572 1.7707 1.7 ( 1 7 0) 25.786 0.2824 3.5484 52.045 1.7557 3.9 ( 1 6 1) 26.023 0.2848 3.5787 52.792 1.7326 13.4 ( 0 8 0) 26.396 0.2886 3.6264 52.792 1.7326 13.4 ( 2 1 1) 26.396 0.2886 3.6264 53.214 1.7199 1.8 ( 2 4 0) 26.607 0.2907 3.6533 54.115 1.6934 5.4 ( 2 2 1) 27.057 0.2953 3.7105 55.190 1.6629 10.4 ( 1 1 2) 27.595 0.3007 3.7785 56.272 1.6335 3.0 ( 2 3 1) 28.136 0.3061 3.8466 56.379 1.6306 7.5 ( 0 4 2) 28.190 0.3066 3.8533 56.475 1.6281 6.7 ( 1 2 2) 28.237 0.3071 3.8593 57.678 1.5969 11.7 ( 1 7 1) 28.839 0.3131 3.9345 58.076 1.5869 2.3 ( 1 8 0) 29.038 0.3151 3.9593 58.574 1.5746 1.8 ( 1 3 2) 29.287 0.3175 3.9903 58.834 1.5683 10.9 ( 0 8 1) 29.417 0.3188 4.0064 59.204 1.5594 0.6 ( 2 4 1) 29.602 0.3206 4.0294 61.437 1.5079 1.0 ( 1 4 2) 30.718 0.3316 4.1668 61.628 1.5037 3.2 ( 2 6 0) 30.814 0.3325 4.1785 62.849 1.4774 9.7 ( 2 5 1) 31.424 0.3384 4.2528 63.772 1.4582 0.6 ( 1 8 1) 31.886 0.3429 4.3088 64.529 1.4429 6.5 ( 0 6 2) 32.264 0.3465 4.3544 65.008 1.4334 6.4 ( 1 5 2) 32.504 0.3488 4.3833 66.745 1.4003 4.1 ( 2 7 0) 33.372 0.3571 4.4870 67.148 1.3929 1.0 ( 2 6 1) 33.574 0.3590 4.5110 67.553 1.3855 2.6 ( 0 10 0) 33.777 0.3609 4.5350 69.238 1.3558 0.9 ( 1 6 2) 34.619 0.3688 4.6341 69.492 1.3515 3.1 ( 2 0 2) 34.746 0.3700 4.6490 69.870 1.3451 3.2 ( 2 1 2) 34.935 0.3717 4.6711 70.314 1.3377 0.7 ( 1 9 1) 35.157 0.3738 4.6970 70.998 1.3265 0.3 ( 2 2 2) 35.499 0.3769 4.7367 72.062 1.3095 0.7 ( 2 7 1) 36.031 0.3818 4.7982 72.860 1.2971 8.0 ( 0 10 1) 36.430 0.3855 4.8440 72.860 1.2971 8.0 ( 2 3 2) 36.430 0.3855 4.8440 74.090 1.2786 0.8 ( 1 7 2) 37.045 0.3911 4.9141 75.110 1.2637 0.2 ( 0 8 2) 37.555 0.3957 4.9719 75.438 1.2591 1.0 ( 2 4 2) 37.719 0.3971 4.9904 76.523 1.2439 3.4 ( 3 0 1) 38.261 0.4020 5.0512 77.326 1.2330 1.9 ( 1 10 1) 38.663 0.4055 5.0960 77.570 1.2297 3.2 ( 2 8 1) 38.785 0.4066 5.1095 77.976 1.2243 0.4 ( 3 2 1) 38.988 0.4084 5.1320 78.638 1.2156 0.8 ( 2 9 0) 39.319 0.4113 5.1686 78.836 1.2131 3.3 ( 0 2 3) 39.418 0.4122 5.1795 79.549 1.2040 1.4 ( 1 8 2) 39.774 0.4153 5.2186 79.780 1.2011 1.6 ( 3 3 1) 39.890 0.4163 5.2312 79.780 1.2011 1.6 ( 1 11 0) 39.890 0.4163 5.2312 80.482 1.1924 0.1 ( 3 5 0) 40.241 0.4193 5.2694 81.791 1.1766 0.8 ( 1 0 3) 40.896 0.4250 5.3403 82.149 1.1724 1.7 ( 1 1 3) 41.074 0.4265 5.3595 82.291 1.1707 3.2 ( 3 4 1) 41.145 0.4271 5.3671 82.658 1.1664 2.0 ( 2 6 2) 41.329 0.4287 5.3867 83.140 1.1609 0.6 ( 0 4 3) 41.570 0.4307 5.4125 83.676 1.1548 3.3 ( 0 12 0) 41.838 0.4330 5.4409 83.676 1.1548 3.3 ( 2 9 1) 41.838 0.4330 5.4409 84.412 1.1466 0.8 ( 3 6 0) 42.206 0.4361 5.4799 84.860 1.1417 2.8 ( 1 11 1) 42.430 0.4380 5.5035 85.001 1.1401 1.6 ( 1 3 3) 42.500 0.4385 5.5108 85.437 1.1354 0.8 ( 3 5 1) 42.719 0.4404 5.5337 85.437 1.1354 0.8 ( 2 10 0) 42.719 0.4404 5.5337 85.623 1.1335 2.5 ( 1 9 2) 42.812 0.4411 5.5434 87.282 1.1161 3.5 ( 2 7 2) 43.641 0.4480 5.6294 87.485 1.1141 2.1 ( 1 4 3) 43.742 0.4488 5.6399 88.027 1.1086 2.7 ( 0 10 2) 44.014 0.4510 5.6677 88.027 1.1086 2.7 ( 1 12 0) 44.014 0.4510 5.6677 88.684 1.1021 2.2 ( 0 12 1) 44.342 0.4537 5.7013 89.026 1.0987 1.2 ( 3 7 0) 44.513 0.4551 5.7186 89.398 1.0951 2.4 ( 3 6 1) 44.699 0.4566 5.7375 |
3Â¥2014-09-20 12:25:08
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5Â¥2021-01-08 15:10:42













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