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PDF#77-0435: QM=Calculated(C); d=Calculated; I=Calculated Spinel Mg Al2 O4 Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= 2T=19.007-85.805 I/Ic(RIR)=1.72 Ref: Calculated from ICSD using POWD-12++ (1997) Cubic - (Unknown), Fd-3m (227) Z=8 mp= CELL: 8.0806 x 8.0806 x 8.0806 <90.0 x 90.0 x 90.0> P.S=cF56 (?) Density(c)=3.581 Density(m)=3.500 Mwt=142.27 Vol=527.63 F(16)=999.9(.0000,16/0) Ref: Yamanaka, T. J. Miner. Soc. Jpn., v16 p221 (1983) Strong Lines: 2.44/X 1.43/6 2.02/5 1.56/4 4.67/4 2.86/3 1.65/1 1.23/1 1.17/1 1.37/1 FIZ=039161: ATF Anharmonic temperature factors given J Correction of thermal diffuse scattering applied. See PDF 00-021-1152 and ICSD 31373. Calc. density unusual but tolerable. Thermal movement of atoms in the spinel structure. e d a (FD3-MS) AB2X4 2-Theta d(?) I(f) ( h k l) Theta 1/(2d) 2pi/d n^2 19.007 4.6653 39.4 ( 1 1 1) 9.503 0.1072 1.3468 3 31.283 2.8569 33.5 ( 2 2 0) 15.642 0.1750 2.1993 8 36.861 2.4364 100.0 ( 3 1 1) 18.431 0.2052 2.5789 11 38.564 2.3327 0.9 ( 2 2 2) 19.282 0.2143 2.6936 12 44.828 2.0201 53.3 ( 4 0 0) 22.414 0.2475 3.1103 16 49.103 1.8538 0.1 ( 3 3 1) 24.551 0.2697 3.3893 19 55.678 1.6494 8.2 ( 4 2 2) 27.839 0.3031 3.8093 24 59.382 1.5551 40.1 ( 5 1 1) 29.691 0.3215 4.0403 27 65.264 1.4285 59.1 ( 4 4 0) 32.632 0.3500 4.3986 32 68.659 1.3659 2.7 ( 5 3 1) 34.329 0.3661 4.6001 35 69.772 1.3468 0.1 ( 4 4 2) 34.886 0.3713 4.6654 36 74.153 1.2777 2.3 ( 6 2 0) 37.077 0.3913 4.9177 40 77.377 1.2323 7.8 ( 5 3 3) 38.688 0.4058 5.0988 43 78.441 1.2182 0.8 ( 6 2 2) 39.221 0.4104 5.1578 44 82.665 1.1663 5.0 ( 4 4 4) 41.333 0.4287 5.3871 48 85.805 1.1315 2.0 ( 5 5 1) 42.903 0.4419 5.5529 51 |
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