【答案】应助回帖

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1楼2013-07-06 10:03:39

gyliu

铁杆木虫 (职业作家)

CMEI: 1
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专业: 凝聚态物性I:结构、力学和

【答案】应助回帖

感谢参与，应助指数 +1

PDF#86-1410: QM=Calculated(C); d=Calculated; I=Calculated
Aluminum Oxide
Al2 O3
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=15.458-89.742 I/Ic(RIR)=0.51
Ref: Calculated from ICSD using POWD-12++ (1997)

Monoclinic - Powder Diffraction,  C2/m (12) Z=4 mp=
CELL: 11.795 x 2.91 x 5.621 <90.0 x 103.79 x 90.0> P.S=mC20 ($GU) (Dy3 Ni2)
Density(c)=3.614 Density(m)=3.39A Mwt=101.96 Vol=187.37 F(30)=999.9(.0004,37/0)
Ref: Husson, E., Repelin, Y.
Eur. J. Solid State Inorg. Chem., v33 p1223 (1996)
Strong Lines: 2.73/X 2.86/8 2.45/8 1.39/6 2.31/5 2.02/5 2.83/5 2.25/4 1.46/3 2.82/3
FIZ=082504: ITF Structural studies of transition aluminas.
Theta alumina i5 (C12/M1) A2X3
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
15.458 5.7275 <1 ( 2 0 0) 7.729 0.0873 1.0970
16.223 5.4590 7.5 ( 0 0 1) 8.112 0.0916 1.1510
19.593 4.5271 7.1 (-2 0 1) 9.796 0.1104 1.3879
25.054 3.5514 1.0 ( 2 0 1) 12.527 0.1408 1.7692
31.207 2.8637 67.2 ( 4 0 0) 15.603 0.1746 2.1940
31.606 2.8285 39.1 (-4 0 1) 15.803 0.1768 2.2214
31.699 2.8204 25.4 ( 1 1 0) 15.849 0.1773 2.2277
32.784 2.7295 88.8 ( 0 0 2) 16.392 0.1832 2.3020
32.784 2.7295 88.8 (-2 0 2) 16.392 0.1832 2.3020
34.910 2.5680 16.0 (-1 1 1) 17.455 0.1947 2.4468
36.683 2.4478 77.5 ( 1 1 1) 18.341 0.2043 2.5668
38.879 2.3145 55.2 ( 3 1 0) 19.439 0.2160 2.7147
39.793 2.2634 7.3 ( 2 0 2) 19.897 0.2209 2.7760
39.793 2.2634 7.3 (-4 0 2) 19.897 0.2209 2.7760
40.022 2.2510 45.8 (-3 1 1) 20.011 0.2221 2.7913
44.642 2.0282 15.2 ( 3 1 1) 22.321 0.2465 3.0980
44.795 2.0216 60.8 (-1 1 2) 22.397 0.2473 3.1081
46.457 1.9530 9.7 (-6 0 1) 23.229 0.2560 3.2171
47.590 1.9092 26.2 ( 6 0 0) 23.795 0.2619 3.2911
47.666 1.9063 18.3 ( 1 1 2) 23.833 0.2623 3.2960
47.666 1.9063 18.3 (-3 1 2) 23.833 0.2623 3.2960
48.721 1.8674 0.3 (-2 0 3) 24.361 0.2677 3.3646
50.087 1.8197 0.8 ( 0 0 3) 25.044 0.2748 3.4529
50.268 1.8135 4.9 (-5 1 1) 25.134 0.2757 3.4646
50.671 1.8001 11.0 ( 5 1 0) 25.335 0.2778 3.4905
51.417 1.7757 14.6 ( 4 0 2) 25.708 0.2816 3.5384
51.417 1.7757 14.6 (-6 0 2) 25.708 0.2816 3.5384
52.737 1.7343 7.5 (-4 0 3) 26.368 0.2883 3.6229
54.526 1.6816 0.6 ( 6 0 1) 27.263 0.2973 3.7365
55.604 1.6515 0.1 (-5 1 2) 27.802 0.3028 3.8046
55.604 1.6515 0.1 ( 3 1 2) 27.802 0.3028 3.8046
56.720 1.6216 20.6 ( 5 1 1) 28.360 0.3083 3.8747
58.696 1.5716 9.4 (-1 1 3) 29.348 0.3181 3.9979
59.900 1.5429 45.1 (-3 1 3) 29.950 0.3241 4.0723
61.387 1.5090 2.4 (-6 0 3) 30.693 0.3313 4.1637
62.271 1.4897 33.4 ( 1 1 3) 31.135 0.3356 4.2177
63.014 1.4739 11.2 (-8 0 1) 31.507 0.3392 4.2629
63.930 1.4550 51.4 ( 0 2 0) 31.965 0.3436 4.3183
63.930 1.4550 51.4 (-7 1 1) 31.965 0.3436 4.3183
65.088 1.4319 2.2 ( 8 0 0) 32.544 0.3492 4.3881
65.371 1.4264 10.0 ( 7 1 0) 32.686 0.3505 4.4050
66.009 1.4141 4.3 (-8 0 2) 33.005 0.3536 4.4432
66.009 1.4141 4.3 ( 6 0 2) 33.005 0.3536 4.4432
66.216 1.4102 2.8 ( 2 2 0) 33.108 0.3546 4.4555
66.480 1.4052 30.7 (-2 0 4) 33.240 0.3558 4.4712
66.480 1.4052 30.7 ( 0 2 1) 33.240 0.3558 4.4712
67.417 1.3880 100.0 (-7 1 2) 33.708 0.3602 4.5269
67.417 1.3880 100.0 ( 5 1 2) 33.708 0.3602 4.5269
67.570 1.3852 53.3 (-2 2 1) 33.785 0.3610 4.5359
68.723 1.3647 0.9 ( 0 0 4) 34.362 0.3664 4.6039
68.723 1.3647 0.9 (-4 0 4) 34.362 0.3664 4.6039
69.795 1.3464 0.2 ( 2 2 1) 34.898 0.3714 4.6667
70.204 1.3395 4.0 ( 3 1 3) 35.102 0.3733 4.6906
71.724 1.3148 1.7 ( 7 1 1) 35.862 0.3803 4.7787
72.000 1.3105 5.7 ( 8 0 1) 36.000 0.3815 4.7946
72.856 1.2972 12.9 ( 4 2 0) 36.428 0.3855 4.8437
73.074 1.2938 12.7 (-4 2 1) 36.537 0.3864 4.8562
73.728 1.2840 18.5 (-8 0 3) 36.864 0.3894 4.8936
73.728 1.2840 18.5 ( 0 2 2) 36.864 0.3894 4.8936
75.260 1.2616 9.2 (-6 0 4) 37.630 0.3963 4.9804
75.260 1.2616 9.2 ( 2 0 4) 37.630 0.3963 4.9804
75.529 1.2578 6.6 (-1 1 4) 37.764 0.3975 4.9955
75.529 1.2578 6.6 (-3 1 4) 37.764 0.3975 4.9955
75.621 1.2565 17.9 (-7 1 3) 37.810 0.3979 5.0007
77.363 1.2325 6.9 ( 4 2 1) 38.682 0.4057 5.0981
78.005 1.2239 0.4 (-4 2 2) 39.003 0.4085 5.1337
78.005 1.2239 0.4 ( 2 2 2) 39.003 0.4085 5.1337
79.775 1.2011 1.6 ( 1 1 4) 39.888 0.4163 5.2310
79.775 1.2011 1.6 (-5 1 4) 39.888 0.4163 5.2310
80.273 1.1949 0.2 (-9 1 1) 40.137 0.4184 5.2581
81.187 1.1838 1.2 ( 6 0 3) 40.594 0.4224 5.3077
81.588 1.1790 0.2 (-10 0 1) 40.794 0.4241 5.3293
81.970 1.1745 2.7 ( 5 1 3) 40.985 0.4257 5.3499
82.625 1.1668 3.5 ( 9 1 0) 41.312 0.4285 5.3850
82.625 1.1668 3.5 (-6 2 1) 41.312 0.4285 5.3850
83.270 1.1594 7.9 (-10 0 2) 41.635 0.4313 5.4194
83.270 1.1594 7.9 ( 8 0 2) 41.635 0.4313 5.4194
83.460 1.1572 8.8 ( 6 2 0) 41.730 0.4321 5.4295
84.511 1.1455 0.2 ( 10 0 0) 42.256 0.4365 5.4851
85.349 1.1364 0.2 ( 0 2 3) 42.674 0.4400 5.5291
85.780 1.1318 3.6 ( 4 0 4) 42.890 0.4418 5.5516
85.780 1.1318 3.6 (-8 0 4) 42.890 0.4418 5.5516
86.381 1.1254 5.2 (-6 2 2) 43.190 0.4443 5.5829
86.381 1.1254 5.2 ( 4 2 2) 43.190 0.4443 5.5829
86.630 1.1228 3.5 (-2 0 5) 43.315 0.4453 5.5958
87.424 1.1147 2.4 (-4 2 3) 43.712 0.4486 5.6368
87.665 1.1122 1.7 (-4 0 5) 43.833 0.4495 5.6492
88.113 1.1077 4.8 (-7 1 4) 44.057 0.4514 5.6721
88.113 1.1077 4.8 ( 3 1 4) 44.057 0.4514 5.6721
88.865 1.1003 0.2 ( 6 2 1) 44.433 0.4544 5.7105
89.242 1.0966 0.2 (-9 1 3) 44.621 0.4559 5.7296
89.504 1.0941 0.7 (-10 0 3) 44.752 0.4570 5.7428
89.742 1.0918 0.4 ( 0 0 5) 44.871 0.4580 5.7549

2楼2013-07-09 07:57:16

gyliu

铁杆木虫 (职业作家)

CMEI: 1
应助: 335 (大学生)
金币: 16537.7
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性别: GG
专业: 凝聚态物性I:结构、力学和

PDF#88-0107: QM=Calculated(C); d=Calculated; I=Calculated
Aluminum Oxide
Al2 O3
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=14.511-89.991 I/Ic(RIR)=0.83
Ref: Calculated from ICSD using POWD-12++

Orthorhombic - Profile Analysis,  Pna21 (33) Z=8 mp=
CELL: 4.8437 x 8.33 x 8.9547 <90.0 x 90.0 x 90.0> P.S=oP40 ($GK) (?)
Density(c)=3.748 Density(m)=3.39A Mwt=101.96 Vol=361.30 F(30)=434.6(.0022,32/0)
Ref: Ollivier, B., Retoux, R., Lacorre, P., Massiot, D., Ferey, G.
J. Mater. Chem., v7 p1049 (1997)
Strong Lines: 2.58/X 2.12/6 2.81/5 1.44/5 1.40/4 3.05/3 2.33/2 2.13/2 1.39/2 1.64/2
FIZ=084375: Rietveld profile refinement applied At least one TF implausible.
ITF Crystal structure of kappa-alumina: an X-ray powder diffraction, TEM and NMR study a10 (PNA21) A2X3
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
14.511 6.0991 5.8 ( 0 1 1) 7.255 0.0820 1.0302
19.813 4.4774 3.7 ( 0 0 2) 9.906 0.1117 1.4033
21.201 4.1873 1.2 ( 1 1 0) 10.600 0.1194 1.5005
21.315 4.1650 0.8 ( 0 2 0) 10.658 0.1200 1.5086
23.434 3.7931 0.7 ( 1 1 1) 11.717 0.1318 1.6565
28.235 3.1580 4.8 ( 1 2 0) 14.118 0.1583 1.9896
29.176 3.0583 15.4 ( 1 1 2) 14.588 0.1635 2.0545
29.261 3.0496 26.3 ( 0 2 2) 14.631 0.1640 2.0604
29.978 2.9783 4.6 ( 1 2 1) 14.989 0.1679 2.1097
31.820 2.8100 47.2 ( 0 1 3) 15.910 0.1779 2.2360
33.769 2.6521 2.9 ( 0 3 1) 16.884 0.1885 2.3691
34.733 2.5807 100.0 ( 1 2 2) 17.366 0.1937 2.4347
36.953 2.4306 12.3 ( 1 1 3) 18.476 0.2057 2.5851
37.091 2.4218 12.3 ( 2 0 0) 18.545 0.2065 2.5944
37.297 2.4089 5.4 ( 1 3 0) 18.648 0.2076 2.6083
38.475 2.3379 15.6 ( 2 0 1) 19.237 0.2139 2.6876
38.675 2.3262 27.3 ( 1 3 1) 19.337 0.2149 2.7010
38.675 2.3262 27.3 ( 2 1 0) 19.337 0.2149 2.7010
40.023 2.2509 0.8 ( 2 1 1) 20.012 0.2221 2.7914
40.251 2.2387 3.5 ( 0 0 4) 20.126 0.2233 2.8066
41.598 2.1693 14.5 ( 1 2 3) 20.799 0.2305 2.8965
42.397 2.1302 29.6 ( 2 0 2) 21.199 0.2347 2.9496
42.582 2.1214 77.8 ( 1 3 2) 21.291 0.2357 2.9618
43.174 2.0936 0.9 ( 2 2 0) 21.587 0.2388 3.0011
43.417 2.0825 5.2 ( 0 4 0) 21.708 0.2401 3.0171
43.831 2.0638 19.6 ( 2 1 2) 21.916 0.2423 3.0445
44.400 2.0387 1.0 ( 2 2 1) 22.200 0.2453 3.0820
44.529 2.0330 0.6 ( 0 3 3) 22.264 0.2459 3.0906
45.988 1.9719 1.0 ( 0 2 4) 22.994 0.2536 3.1864
45.988 1.9719 1.0 ( 1 1 4) 22.994 0.2536 3.1864
47.484 1.9132 5.0 ( 1 4 0) 23.742 0.2613 3.2842
47.927 1.8965 4.4 ( 2 2 2) 23.963 0.2636 3.3130
48.150 1.8882 10.1 ( 0 4 2) 24.075 0.2648 3.3275
48.357 1.8807 16.9 ( 2 0 3) 24.178 0.2659 3.3409
48.523 1.8746 27.3 ( 1 3 3) 24.262 0.2667 3.3517
48.624 1.8709 13.7 ( 1 4 1) 24.312 0.2672 3.3583
49.655 1.8345 12.1 ( 2 1 3) 24.827 0.2726 3.4250
49.892 1.8263 5.5 ( 2 3 0) 24.946 0.2738 3.4403
49.892 1.8263 5.5 ( 1 2 4) 24.946 0.2738 3.4403
51.026 1.7884 0.7 ( 2 3 1) 25.513 0.2796 3.5133
51.932 1.7593 5.6 ( 1 4 2) 25.966 0.2842 3.5714
52.198 1.7509 6.3 ( 0 1 5) 26.099 0.2856 3.5885
53.410 1.7140 5.3 ( 2 2 3) 26.705 0.2917 3.6657
54.227 1.6901 0.2 ( 2 3 2) 27.113 0.2958 3.7176
55.882 1.6439 21.5 ( 2 0 4) 27.941 0.3041 3.8221
56.032 1.6399 31.6 ( 1 3 4) 28.016 0.3049 3.8315
57.139 1.6107 2.2 ( 1 4 3) 28.569 0.3104 3.9009
58.151 1.5851 0.8 ( 3 1 0) 29.075 0.3154 3.9640
58.395 1.5790 2.8 ( 2 4 0) 29.198 0.3167 3.9792
58.541 1.5754 1.5 ( 1 5 0) 29.271 0.3174 3.9883
59.144 1.5608 2.0 ( 3 1 1) 29.572 0.3203 4.0256
59.267 1.5579 1.7 ( 1 2 5) 29.633 0.3210 4.0332
59.267 1.5579 1.7 ( 2 3 3) 29.633 0.3210 4.0332
59.386 1.5550 1.8 ( 2 4 1) 29.693 0.3215 4.0406
59.530 1.5516 1.7 ( 1 5 1) 29.765 0.3223 4.0495
60.686 1.5248 0.8 ( 0 4 4) 30.343 0.3279 4.1207
61.568 1.5050 3.1 ( 0 3 5) 30.784 0.3322 4.1748
61.568 1.5050 3.1 ( 3 2 0) 30.784 0.3322 4.1748
62.064 1.4942 10.2 ( 3 1 2) 31.032 0.3346 4.2050
62.299 1.4891 7.3 ( 2 4 2) 31.149 0.3358 4.2194
62.511 1.4846 5.0 ( 1 5 2) 31.255 0.3368 4.2323
62.511 1.4846 5.0 ( 3 2 1) 31.255 0.3368 4.2323
63.942 1.4547 27.1 ( 1 4 4) 31.971 0.3437 4.3191
63.942 1.4547 27.1 ( 0 5 3) 31.971 0.3437 4.3191
64.678 1.4400 38.0 ( 2 0 5) 32.339 0.3472 4.3634
64.815 1.4373 84.1 ( 1 3 5) 32.408 0.3479 4.3717
65.343 1.4269 3.6 ( 3 2 2) 32.671 0.3504 4.4033
65.757 1.4189 2.0 ( 2 1 5) 32.878 0.3524 4.4281
65.984 1.4146 1.6 ( 2 3 4) 32.992 0.3535 4.4417
66.991 1.3958 70.7 ( 3 3 0) 33.495 0.3582 4.5016
66.991 1.3958 70.7 ( 2 4 3) 33.495 0.3582 4.5016
67.127 1.3933 38.2 ( 1 5 3) 33.564 0.3589 4.5097
67.397 1.3883 30.7 ( 0 6 0) 33.699 0.3601 4.5257
67.910 1.3791 2.2 ( 3 3 1) 33.955 0.3626 4.5560
68.942 1.3609 1.5 ( 2 2 5) 34.471 0.3674 4.6168
69.185 1.3568 3.0 ( 2 5 1) 34.593 0.3685 4.6311
69.619 1.3493 5.7 ( 1 2 6) 34.810 0.3705 4.6565
69.929 1.3441 23.6 ( 3 2 3) 34.964 0.3720 4.6745
70.503 1.3346 3.3 ( 1 6 0) 35.251 0.3746 4.7080
71.025 1.3261 0.2 ( 0 6 2) 35.513 0.3771 4.7383
71.400 1.3200 0.8 ( 1 6 1) 35.700 0.3788 4.7600
71.884 1.3123 18.3 ( 2 5 2) 35.942 0.3810 4.7879
73.305 1.2903 0.6 ( 2 4 4) 36.652 0.3875 4.8694
73.435 1.2884 0.4 ( 1 5 4) 36.718 0.3881 4.8768
74.109 1.2783 1.0 ( 2 3 5) 37.055 0.3911 4.9152
74.109 1.2783 1.0 ( 1 6 2) 37.055 0.3911 4.9152
74.267 1.2760 1.0 ( 3 4 0) 37.133 0.3919 4.9242
74.637 1.2706 5.7 ( 2 0 6) 37.319 0.3935 4.9452
74.767 1.2687 10.4 ( 1 3 6) 37.383 0.3941 4.9525
75.063 1.2644 5.5 ( 3 3 3) 37.531 0.3954 4.9692
75.063 1.2644 5.5 ( 0 1 7) 37.531 0.3954 4.9692
75.651 1.2560 1.0 ( 2 1 6) 37.826 0.3981 5.0024
76.293 1.2471 8.1 ( 2 5 3) 38.147 0.4009 5.0384
77.763 1.2271 1.1 ( 3 4 2) 38.881 0.4075 5.1202
78.043 1.2234 7.0 ( 1 1 7) 39.022 0.4087 5.1358
78.317 1.2198 3.8 ( 0 5 5) 39.159 0.4099 5.1509
78.836 1.2131 0.4 ( 0 4 6) 39.418 0.4122 5.1795
79.005 1.2109 0.4 ( 4 0 0) 39.502 0.4129 5.1888
79.513 1.2045 1.7 ( 2 6 0) 39.756 0.4151 5.2166
79.867 1.2000 3.2 ( 4 0 1) 39.934 0.4167 5.2360
80.001 1.1983 1.7 ( 4 1 0) 40.001 0.4172 5.2433
80.374 1.1937 2.4 ( 2 6 1) 40.187 0.4189 5.2636
81.032 1.1857 3.5 ( 1 2 7) 40.516 0.4217 5.2993
81.136 1.1844 3.7 ( 3 3 4) 40.568 0.4222 5.3049
81.136 1.1844 3.7 ( 2 4 5) 40.568 0.4222 5.3049
81.262 1.1829 2.2 ( 1 5 5) 40.631 0.4227 5.3117
81.515 1.1799 1.3 ( 0 7 1) 40.757 0.4238 5.3254
81.515 1.1799 1.3 ( 0 6 4) 40.757 0.4238 5.3254
81.776 1.1767 0.9 ( 1 4 6) 40.888 0.4249 5.3394
82.070 1.1733 2.0 ( 3 4 3) 41.035 0.4262 5.3552
82.336 1.1702 3.5 ( 2 5 4) 41.168 0.4273 5.3695
82.441 1.1689 5.1 ( 4 0 2) 41.221 0.4277 5.3752
82.945 1.1631 5.3 ( 2 6 2) 41.472 0.4299 5.4021
82.945 1.1631 5.3 ( 4 2 0) 41.472 0.4299 5.4021
83.267 1.1594 3.1 ( 3 5 0) 41.633 0.4312 5.4192
83.429 1.1576 6.7 ( 4 1 2) 41.714 0.4319 5.4278
83.626 1.1554 3.8 ( 2 3 6) 41.813 0.4328 5.4383
83.891 1.1524 2.2 ( 3 2 5) 41.946 0.4339 5.4524
83.891 1.1524 2.2 ( 4 2 1) 41.946 0.4339 5.4524
84.120 1.1498 1.1 ( 3 5 1) 42.060 0.4348 5.4644
84.454 1.1461 3.4 ( 1 6 4) 42.227 0.4363 5.4821
84.454 1.1461 3.4 ( 1 7 1) 42.227 0.4363 5.4821
85.840 1.1311 0.5 ( 2 0 7) 42.920 0.4420 5.5547
85.965 1.1298 0.2 ( 1 3 7) 42.982 0.4425 5.5612
86.381 1.1254 0.5 ( 4 2 2) 43.190 0.4443 5.5829
86.702 1.1221 2.5 ( 4 0 3) 43.351 0.4456 5.5995
86.702 1.1221 2.5 ( 3 5 2) 43.351 0.4456 5.5995
86.822 1.1208 4.1 ( 2 1 7) 43.411 0.4461 5.6057
86.969 1.1193 6.0 ( 1 7 2) 43.484 0.4467 5.6133
86.969 1.1193 6.0 ( 0 0 8) 43.484 0.4467 5.6133
87.200 1.1170 5.3 ( 2 6 3) 43.600 0.4476 5.6253
87.682 1.1121 0.5 ( 4 1 3) 43.841 0.4496 5.6500
87.891 1.1100 0.7 ( 4 3 0) 43.945 0.4505 5.6607
88.348 1.1054 0.2 ( 0 7 3) 44.174 0.4523 5.6841
88.802 1.1009 0.9 ( 3 3 5) 44.401 0.4542 5.7073
88.802 1.1009 0.9 ( 4 3 1) 44.401 0.4542 5.7073
89.763 1.0916 1.7 ( 2 2 7) 44.882 0.4580 5.7559
89.991 1.0894 0.9 ( 2 5 5) 44.995 0.4590 5.7674

3楼2013-07-09 07:57:44

gyliu

铁杆木虫 (职业作家)

CMEI: 1
应助: 335 (大学生)
金币: 16537.7
散金: 9
红花: 128
帖子: 3257
在线: 512.8小时
虫号: 327449
注册: 2007-03-19
性别: GG
专业: 凝聚态物性I:结构、力学和

PDF#88-1609: QM=Calculated(C); d=Calculated; I=Calculated
Aluminum Oxide
Al Al1.67 O4
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=3.732-89.975 I/Ic(RIR)=0.94
Ref: Calculated from ICSD using POWD-12++

Tetragonal - (Unknown),  P-4m2 (115) Z=12 mp=
CELL: 5.599 x 5.599 x 23.657 <90.0 x 90.0 x 90.0> P.S=tP80.04 ($GD) (?)
Density(c)=3.652 Density(m)=3.39A Mwt=136.04 Vol=741.62 F(30)=420.5(.0022,33/0)
Ref: Repelin, Y., Husson, E.
Mater. Res. Bull., v25 p611 (1990)
Strong Lines: 2.39/X 2.38/X 1.40/6 2.79/5 1.98/5 2.37/3 1.97/3 1.52/3 4.57/1 1.62/1
FIZ=040200: M PDF 46-1131.
ITF Etudes structurales d'alumines de transition.
I - Alumines gamma et delta k9 j9 g3 f e c a (P4-M2) Al2 O3 A2X3
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
3.732 23.6570 0.2 ( 0 0 1) 1.866 0.0211 0.2656
7.468 11.8285 1.6 ( 0 0 2) 3.734 0.0423 0.5312
11.211 7.8857 0.5 ( 0 0 3) 5.606 0.0634 0.7968
14.967 5.9142 0.2 ( 0 0 4) 7.484 0.0845 1.0624
15.815 5.5990 2.0 ( 1 0 0) 7.908 0.0893 1.1222
16.255 5.4485 0.1 ( 1 0 1) 8.127 0.0918 1.1532
17.510 5.0607 <1 ( 1 0 2) 8.755 0.0988 1.2416
18.739 4.7314 0.3 ( 0 0 5) 9.370 0.1057 1.3280
19.427 4.5653 6.1 ( 1 0 3) 9.714 0.1095 1.3763
21.841 4.0660 0.2 ( 1 0 4) 10.920 0.1230 1.5453
22.438 3.9591 0.1 ( 1 1 0) 11.219 0.1263 1.5870
22.532 3.9428 0.1 ( 0 0 6) 11.266 0.1268 1.5936
22.754 3.9048 0.2 ( 1 1 1) 11.377 0.1280 1.6091
23.679 3.7544 0.3 ( 1 1 2) 11.839 0.1332 1.6736
24.614 3.6139 0.3 ( 1 0 5) 12.307 0.1384 1.7386
25.148 3.5382 0.7 ( 1 1 3) 12.574 0.1413 1.7758
26.350 3.3796 0.2 ( 0 0 7) 13.175 0.1479 1.8592
27.081 3.2900 0.1 ( 1 1 4) 13.540 0.1520 1.9098
27.648 3.2237 0.6 ( 1 0 6) 13.824 0.1551 1.9490
29.392 3.0363 0.2 ( 1 1 5) 14.696 0.1647 2.0693
30.197 2.9571 0.1 ( 0 0 8) 15.099 0.1691 2.1248
30.879 2.8933 0.2 ( 1 0 7) 15.440 0.1728 2.1716
32.010 2.7937 42.0 ( 1 1 6) 16.005 0.1790 2.2490
32.010 2.7937 42.0 ( 2 0 0) 16.005 0.1790 2.2490
33.952 2.6382 0.2 ( 2 0 3) 16.976 0.1895 2.3816
34.080 2.6286 0.1 ( 0 0 9) 17.040 0.1902 2.3904
34.265 2.6148 0.1 ( 1 0 8) 17.132 0.1912 2.4029
34.876 2.5704 0.4 ( 1 1 7) 17.438 0.1945 2.4444
35.446 2.5303 0.1 ( 2 0 4) 17.723 0.1976 2.4831
35.832 2.5040 0.7 ( 2 1 0) 17.916 0.1997 2.5093
36.039 2.4900 0.5 ( 2 1 1) 18.020 0.2008 2.5233
36.654 2.4497 0.3 ( 2 1 2) 18.327 0.2041 2.5649
37.660 2.3865 100.0 ( 2 1 3) 18.830 0.2095 2.6328
37.777 2.3794 97.7 ( 1 0 9) 18.889 0.2101 2.6407
37.946 2.3692 34.9 ( 1 1 8) 18.973 0.2110 2.6520
39.031 2.3058 0.3 ( 2 1 4) 19.515 0.2168 2.7249
39.443 2.2826 8.6 ( 2 0 6) 19.722 0.2190 2.7526
40.736 2.2131 0.1 ( 2 1 5) 20.368 0.2259 2.8390
41.189 2.1899 0.1 ( 1 1 9) 20.594 0.2283 2.8692
41.400 2.1792 0.3 ( 1 0 10) 20.700 0.2294 2.8833
41.975 2.1506 0.2 ( 0 0 11) 20.987 0.2325 2.9215
42.743 2.1137 0.2 ( 2 1 6) 21.372 0.2365 2.9726
44.530 2.0330 0.6 ( 2 0 8) 22.265 0.2459 3.0906
44.530 2.0330 0.6 ( 1 1 10) 22.265 0.2459 3.0906
45.123 2.0076 2.6 ( 1 0 11) 22.562 0.2490 3.1297
45.799 1.9796 57.6 ( 2 2 0) 22.900 0.2526 3.1740
45.969 1.9727 35.8 ( 2 2 1) 22.984 0.2535 3.1851
45.999 1.9714 31.6 ( 0 0 12) 23.000 0.2536 3.1871
47.403 1.9162 0.4 ( 2 0 9) 23.702 0.2609 3.2789
47.543 1.9109 0.2 ( 2 1 8) 23.772 0.2617 3.2880
48.108 1.8898 0.1 ( 1 1 11) 24.054 0.2646 3.3248
48.752 1.8663 1.3 ( 3 0 0) 24.376 0.2679 3.3666
48.942 1.8595 1.4 ( 1 0 12) 24.471 0.2689 3.3789
48.942 1.8595 1.4 ( 3 0 1) 24.471 0.2689 3.3789
49.395 1.8435 0.1 ( 3 0 2) 24.698 0.2712 3.4082
49.897 1.8262 0.1 ( 2 2 5) 24.948 0.2738 3.4407
50.084 1.8198 0.5 ( 0 0 13) 25.042 0.2748 3.4527
50.284 1.8130 0.3 ( 2 1 9) 25.142 0.2758 3.4656
50.284 1.8130 0.3 ( 3 0 3) 25.142 0.2758 3.4656
50.465 1.8069 0.1 ( 2 0 10) 25.232 0.2767 3.4773
51.289 1.7798 0.1 ( 3 0 4) 25.644 0.2809 3.5302
51.622 1.7691 0.1 ( 2 2 6) 25.811 0.2826 3.5516
51.622 1.7691 0.1 ( 3 1 0) 25.811 0.2826 3.5516
51.732 1.7656 0.1 ( 1 1 12) 25.866 0.2832 3.5586
51.732 1.7656 0.1 ( 3 1 1) 25.866 0.2832 3.5586
52.194 1.7510 0.4 ( 3 1 2) 26.097 0.2855 3.5882
52.857 1.7306 1.7 ( 1 0 13) 26.429 0.2889 3.6305
52.959 1.7276 1.8 ( 3 1 3) 26.480 0.2894 3.6371
53.223 1.7196 0.4 ( 2 1 10) 26.612 0.2908 3.6539
53.699 1.7055 0.3 ( 2 0 11) 26.850 0.2932 3.6841
54.017 1.6962 0.3 ( 3 1 4) 27.009 0.2948 3.7043
54.238 1.6898 1.3 ( 0 0 14) 27.119 0.2959 3.7183
54.339 1.6869 0.7 ( 3 0 6) 27.170 0.2964 3.7247
55.358 1.6582 0.1 ( 3 1 5) 27.679 0.3015 3.7890
55.531 1.6535 0.1 ( 1 1 13) 27.766 0.3024 3.8000
55.843 1.6450 0.1 ( 2 2 8) 27.921 0.3040 3.8196
56.346 1.6315 1.0 ( 2 1 11) 28.173 0.3065 3.8512
56.966 1.6152 14.3 ( 3 1 6) 28.483 0.3096 3.8901
57.094 1.6119 12.6 ( 2 0 12) 28.547 0.3102 3.8981
58.303 1.5813 0.6 ( 2 2 9) 29.152 0.3162 3.9735
58.425 1.5783 0.3 ( 0 0 15) 29.213 0.3168 3.9810
58.425 1.5783 0.3 ( 3 0 8) 29.213 0.3168 3.9810
58.831 1.5684 0.2 ( 3 1 7) 29.415 0.3188 4.0062
59.476 1.5529 1.4 ( 1 1 14) 29.738 0.3220 4.0462
59.476 1.5529 1.4 ( 3 2 0) 29.738 0.3220 4.0462
59.642 1.5489 1.7 ( 2 1 12) 29.821 0.3228 4.0564
59.642 1.5489 1.7 ( 3 2 1) 29.821 0.3228 4.0564
60.737 1.5236 39.8 ( 3 0 9) 30.368 0.3282 4.1239
60.737 1.5236 39.8 ( 3 2 3) 30.368 0.3282 4.1239
60.938 1.5191 25.9 ( 3 1 8) 30.469 0.3291 4.1362
60.983 1.5181 26.4 ( 2 2 10) 30.492 0.3294 4.1390
60.983 1.5181 26.4 ( 1 0 15) 30.492 0.3294 4.1390
61.707 1.5020 0.3 ( 3 2 4) 30.854 0.3329 4.1833
62.942 1.4755 0.3 ( 3 2 5) 31.471 0.3389 4.2585
63.103 1.4721 1.9 ( 2 1 13) 31.551 0.3397 4.2683
63.274 1.4685 2.1 ( 3 1 9) 31.637 0.3405 4.2787
63.435 1.4652 1.3 ( 3 0 10) 31.717 0.3413 4.2884
63.435 1.4652 1.3 ( 1 1 15) 31.717 0.3413 4.2884
63.857 1.4565 0.3 ( 2 2 11) 31.928 0.3433 4.3139
64.433 1.4449 0.2 ( 3 2 6) 32.216 0.3461 4.3486
64.433 1.4449 0.2 ( 2 0 14) 32.216 0.3461 4.3486
65.207 1.4296 0.2 ( 1 0 16) 32.604 0.3498 4.3952
65.831 1.4175 0.5 ( 3 1 10) 32.915 0.3527 4.4325
66.250 1.4096 0.8 ( 3 2 7) 33.125 0.3547 4.4575
66.250 1.4096 0.8 ( 3 0 11) 33.125 0.3547 4.4575
66.775 1.3997 47.9 ( 4 0 0) 33.387 0.3572 4.4888
66.775 1.3997 47.9 ( 2 1 14) 33.387 0.3572 4.4888
66.931 1.3969 94.9 ( 2 2 12) 33.465 0.3579 4.4980
66.931 1.3969 94.9 ( 4 0 1) 33.465 0.3579 4.4980
68.192 1.3741 0.5 ( 3 2 8) 34.096 0.3639 4.5726
68.192 1.3741 0.5 ( 2 0 15) 34.096 0.3639 4.5726
68.598 1.3669 0.2 ( 3 1 11) 34.299 0.3658 4.5966
68.874 1.3621 0.2 ( 4 0 4) 34.437 0.3671 4.6128
69.115 1.3580 0.2 ( 4 1 0) 34.558 0.3682 4.6269
69.269 1.3553 0.5 ( 3 0 12) 34.634 0.3689 4.6359
69.269 1.3553 0.5 ( 4 1 1) 34.634 0.3689 4.6359
69.552 1.3505 0.4 ( 1 0 17) 34.776 0.3702 4.6525
69.552 1.3505 0.4 ( 4 1 2) 34.776 0.3702 4.6525
70.194 1.3397 0.5 ( 2 2 13) 35.097 0.3732 4.6900
70.357 1.3370 0.9 ( 3 2 9) 35.178 0.3740 4.6995
70.357 1.3370 0.9 ( 4 1 3) 35.178 0.3740 4.6995
70.510 1.3345 0.7 ( 2 1 15) 35.255 0.3747 4.7083
71.182 1.3235 0.2 ( 4 1 4) 35.591 0.3778 4.7473
71.548 1.3176 0.2 ( 3 1 12) 35.774 0.3795 4.7685
71.548 1.3176 0.2 ( 3 3 1) 35.774 0.3795 4.7685
71.759 1.3143 0.2 ( 1 1 17) 35.880 0.3804 4.7807
71.759 1.3143 0.2 ( 0 0 18) 35.880 0.3804 4.7807
71.931 1.3116 0.2 ( 3 3 2) 35.966 0.3812 4.7906
72.195 1.3074 0.4 ( 2 0 16) 36.097 0.3824 4.8058
72.484 1.3029 1.3 ( 3 0 13) 36.242 0.3838 4.8224
72.569 1.3016 1.1 ( 3 3 3) 36.284 0.3841 4.8273
72.790 1.2982 0.7 ( 3 2 10) 36.395 0.3852 4.8400
73.115 1.2932 0.2 ( 4 0 7) 36.558 0.3866 4.8586
73.646 1.2852 2.2 ( 2 2 14) 36.823 0.3890 4.8888
73.646 1.2852 2.2 ( 4 1 6) 36.823 0.3890 4.8888
74.029 1.2795 0.4 ( 1 0 18) 37.014 0.3908 4.9107
74.459 1.2732 0.2 ( 2 1 16) 37.230 0.3927 4.9351
74.595 1.2712 0.2 ( 3 3 5) 37.298 0.3933 4.9428
74.744 1.2690 0.2 ( 3 1 13) 37.372 0.3940 4.9512
75.011 1.2652 0.2 ( 4 0 8) 37.505 0.3952 4.9663
75.443 1.2590 0.9 ( 4 1 7) 37.721 0.3971 4.9907
75.443 1.2590 0.9 ( 3 2 11) 37.721 0.3971 4.9907
75.977 1.2515 4.0 ( 3 3 6) 37.989 0.3995 5.0207
75.977 1.2515 4.0 ( 4 2 0) 37.989 0.3995 5.0207
76.273 1.2473 2.7 ( 2 0 17) 38.137 0.4009 5.0373
76.273 1.2473 2.7 ( 1 1 18) 38.137 0.4009 5.0373
76.434 1.2451 1.2 ( 0 0 19) 38.217 0.4016 5.0463
76.434 1.2451 1.2 ( 4 2 2) 38.217 0.4016 5.0463
77.065 1.2365 0.2 ( 4 2 3) 38.532 0.4044 5.0815
77.285 1.2335 0.4 ( 2 2 15) 38.643 0.4053 5.0937
77.285 1.2335 0.4 ( 4 1 8) 38.643 0.4053 5.0937
77.600 1.2293 0.2 ( 3 3 7) 38.800 0.4067 5.1112
78.119 1.2224 0.2 ( 3 1 14) 39.059 0.4090 5.1400
78.313 1.2199 1.2 ( 3 2 12) 39.156 0.4099 5.1507
78.583 1.2164 0.8 ( 2 1 17) 39.292 0.4111 5.1656
79.354 1.2065 10.5 ( 4 1 9) 39.677 0.4144 5.2079
79.500 1.2046 6.3 ( 3 0 15) 39.750 0.4151 5.2159
79.500 1.2046 6.3 ( 4 0 10) 39.750 0.4151 5.2159
80.410 1.1933 0.2 ( 4 2 6) 40.205 0.4190 5.2656
80.700 1.1897 0.2 ( 2 0 18) 40.350 0.4203 5.2813
80.860 1.1877 0.2 ( 1 1 19) 40.430 0.4210 5.2900
81.120 1.1846 0.2 ( 2 2 16) 40.560 0.4221 5.3041
81.399 1.1812 0.4 ( 3 2 13) 40.699 0.4233 5.3191
81.553 1.1794 1.0 ( 3 3 9) 40.777 0.4239 5.3274
81.699 1.1777 0.4 ( 4 1 10) 40.849 0.4246 5.3353
81.699 1.1777 0.4 ( 3 1 15) 40.849 0.4246 5.3353
82.008 1.1740 0.2 ( 4 2 7) 41.004 0.4259 5.3519
82.081 1.1731 0.2 ( 4 0 11) 41.040 0.4262 5.3558
82.892 1.1637 0.2 ( 2 1 18) 41.446 0.4297 5.3992
83.310 1.1589 0.2 ( 3 0 16) 41.655 0.4314 5.4215
83.453 1.1573 0.2 ( 1 0 20) 41.727 0.4320 5.4291
83.845 1.1529 0.2 ( 4 2 8) 41.922 0.4337 5.4499
83.845 1.1529 0.2 ( 3 3 10) 41.922 0.4337 5.4499
84.265 1.1482 0.6 ( 4 1 11) 42.132 0.4355 5.4721
84.893 1.1413 9.6 ( 4 0 12) 42.447 0.4381 5.5052
85.159 1.1384 5.2 ( 2 0 19) 42.579 0.4392 5.5191
85.159 1.1384 5.2 ( 2 2 17) 42.579 0.4392 5.5191
85.918 1.1303 0.2 ( 4 2 9) 42.959 0.4424 5.5588
86.278 1.1265 0.2 ( 0 0 21) 43.139 0.4438 5.5775
86.924 1.1198 0.9 ( 5 0 0) 43.462 0.4465 5.6110
87.068 1.1183 0.4 ( 4 1 12) 43.534 0.4471 5.6184
87.068 1.1183 0.4 ( 4 3 1) 43.534 0.4471 5.6184
87.332 1.1156 0.4 ( 2 1 19) 43.666 0.4482 5.6321
87.332 1.1156 0.4 ( 3 0 17) 43.666 0.4482 5.6321
88.018 1.1087 0.6 ( 5 0 3) 44.009 0.4510 5.6673
88.233 1.1065 0.9 ( 3 2 15) 44.117 0.4519 5.6783
88.233 1.1065 0.9 ( 4 2 10) 44.117 0.4519 5.6783
88.449 1.1044 0.4 ( 1 0 21) 44.224 0.4527 5.6893
88.869 1.1003 0.2 ( 4 3 4) 44.435 0.4544 5.7107
89.216 1.0969 0.2 ( 5 1 1) 44.608 0.4558 5.7283
89.216 1.0969 0.2 ( 3 3 12) 44.608 0.4558 5.7283
89.581 1.0934 0.2 ( 5 1 2) 44.790 0.4573 5.7467
89.581 1.0934 0.2 ( 3 1 17) 44.790 0.4573 5.7467
89.975 1.0896 0.4 ( 4 3 5) 44.987 0.4589 5.7666
89.975 1.0896 0.4 ( 2 0 20) 44.987 0.4589 5.7666

4楼2013-07-09 07:59:13

gyliu

铁杆木虫 (职业作家)

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PDF#80-0956: QM=Calculated(C); d=Calculated; I=Calculated
Aluminum Oxide
Al10.666 O16
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=19.452-88.881 I/Ic(RIR)=1.17
Ref: Calculated from ICSD using POWD-12++ (1997)

Tetragonal - Profile Analysis,  I41/amd (141) Z=1 mp=
CELL: 5.6 x 5.6 x 7.854 <90.0 x 90.0 x 90.0> P.S=tI26.67 ($GG) (Mn3 O4)
Density(c)=3.665 Density(m)=3.39A Mwt=543.78 Vol=246.30 F(30)=999.9(.0000,31/0)
Ref: Deyu, L., O'Connor, B.H., Roach, G.I.D., Cornell, J.B.
Acta Crystallogr., Sec. A: Found. Crystallogr., v46 pC61 (1990)
Strong Lines: 2.39/X 1.39/5 2.37/5 1.98/4 2.79/4 1.40/3 1.96/2 2.80/2 1.52/2 1.61/1
FIZ=068771: Rietveld profile refinement applied No R value given.
At least one TF missing.
Structural models of eta- and gamma-aluminas by X-ray rietveld refinement h d a (I41/AMDS) A11X16
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
19.452 4.5596 0.1 ( 1 0 1) 9.726 0.1097 1.3780
31.936 2.8000 16.4 ( 2 0 0) 15.968 0.1786 2.2440
32.073 2.7883 31.4 ( 1 1 2) 16.037 0.1793 2.2534
37.668 2.3860 100.0 ( 2 1 1) 18.834 0.2096 2.6333
37.906 2.3716 52.8 ( 1 0 3) 18.953 0.2108 2.6493
39.494 2.2798 8.2 ( 2 0 2) 19.747 0.2193 2.7560
45.791 1.9799 51.8 ( 2 2 0) 22.895 0.2525 3.1735
46.195 1.9635 25.8 ( 0 0 4) 23.098 0.2546 3.2000
50.193 1.8161 0.9 ( 3 0 1) 25.097 0.2753 3.4598
50.382 1.8097 1.8 ( 2 1 3) 25.191 0.2763 3.4719
56.999 1.6143 13.9 ( 3 1 2) 28.500 0.3097 3.8921
57.259 1.6076 7.7 ( 2 0 4) 28.629 0.3110 3.9084
60.736 1.5237 21.6 ( 3 2 1) 30.368 0.3282 4.1238
60.902 1.5199 30.0 ( 3 0 3) 30.451 0.3290 4.1340
61.234 1.5124 10.9 ( 1 0 5) 30.617 0.3306 4.1544
66.761 1.4000 45.7 ( 4 0 0) 33.381 0.3571 4.4880
67.077 1.3942 90.0 ( 2 2 4) 33.539 0.3586 4.5068
70.276 1.3383 0.2 ( 4 1 1) 35.138 0.3736 4.6948
70.431 1.3358 0.2 ( 3 2 3) 35.215 0.3743 4.7038
70.739 1.3307 0.2 ( 2 1 5) 35.370 0.3757 4.7217
71.482 1.3187 0.2 ( 4 0 2) 35.741 0.3792 4.7647
71.711 1.3150 0.2 ( 3 1 4) 35.856 0.3802 4.7779
75.924 1.2522 3.6 ( 4 2 0) 37.962 0.3993 5.0177
75.999 1.2512 3.8 ( 3 3 2) 38.000 0.3996 5.0219
76.599 1.2428 2.9 ( 1 1 6) 38.299 0.4023 5.0555
79.422 1.2056 12.9 ( 4 1 3) 39.711 0.4147 5.2116
79.717 1.2019 9.7 ( 3 0 5) 39.859 0.4160 5.2278
81.020 1.1858 0.2 ( 2 0 6) 40.510 0.4217 5.2986
85.023 1.1399 11.5 ( 4 0 4) 42.511 0.4386 5.5120
88.008 1.1088 0.2 ( 4 3 1) 44.004 0.4509 5.6668
88.445 1.1044 0.2 ( 3 2 5) 44.222 0.4527 5.6891
88.881 1.1001 0.2 ( 1 0 7) 44.440 0.4545 5.7113

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5楼2013-07-09 08:00:20

gyliu

铁杆木虫 (职业作家)

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性别: GG
专业: 凝聚态物性I:结构、力学和

PDF#88-0826: QM=Calculated(C); d=Calculated; I=Calculated
Aluminum Oxide
Al2 O3
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=25.566-88.953 I/Ic(RIR)=0.87
Ref: Calculated from ICSD using POWD-12++

Rhombohedral - Profile Analysis,  R-3c (167) Z=6 mp=
CELL: 4.7607 x 4.7607 x 12.997 <90.0 x 90.0 x 120.0> P.S=hR10 ($GA) (?)
Density(c)=3.981 Density(m)=3.39A Mwt=101.96 Vol=255.10 F(25)=999.9(.0000,25/0)
Ref: Liu, R.S., Shi, W.C., Cheng, Y.C., Huang, C.Y.
Mod. Phys. Lett. B, v11 p1169 (1997)
Strong Lines: 2.55/X 2.09/9 1.60/8 3.48/7 2.38/5 1.74/4 1.37/4 1.41/3 1.24/1 1.51/1
FIZ=085137: Rietveld profile refinement applied ITF See PDF 01-081-1667.
Crystal structures and peculiar magnetic properties of alpha- and gamma-(Al2 O3) powders e c (R3-CH) A2X3
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
25.566 3.4814 43.1 ( 0 1 2) 12.783 0.1436 1.8048
35.136 2.5520 79.4 ( 1 0 4) 17.568 0.1959 2.4621
37.761 2.3804 38.6 ( 1 1 0) 18.881 0.2101 2.6396
41.660 2.1662 0.5 ( 0 0 6) 20.830 0.2308 2.9006
43.336 2.0862 91.2 ( 1 1 3) 21.668 0.2397 3.0118
46.159 1.9649 1.3 ( 2 0 2) 23.080 0.2545 3.1976
52.529 1.7407 49.2 ( 0 2 4) 26.265 0.2872 3.6096
57.475 1.6021 100.0 ( 1 1 6) 28.737 0.3121 3.9219
59.715 1.5472 2.7 ( 2 1 1) 29.858 0.3232 4.0610
61.104 1.5153 3.6 ( 1 2 2) 30.552 0.3300 4.1464
61.276 1.5115 9.2 ( 0 1 8) 30.638 0.3308 4.1569
66.489 1.4051 39.7 ( 2 1 4) 33.245 0.3559 4.4718
68.179 1.3743 61.1 ( 3 0 0) 34.090 0.3638 4.5719
70.385 1.3365 1.4 ( 1 2 5) 35.192 0.3741 4.7011
74.267 1.2760 1.4 ( 2 0 8) 37.133 0.3919 4.9242
76.838 1.2396 17.3 ( 1 0 10) 38.419 0.4034 5.0688
77.200 1.2347 10.5 ( 1 1 9) 38.600 0.4050 5.0890
80.381 1.1936 1.0 ( 2 1 7) 40.190 0.4189 5.2640
80.662 1.1902 6.6 ( 2 2 0) 40.331 0.4201 5.2792
83.177 1.1604 0.5 ( 0 3 6) 41.589 0.4309 5.4144
84.316 1.1477 5.5 ( 2 2 3) 42.158 0.4357 5.4748
85.099 1.1391 0.4 ( 1 3 1) 42.550 0.4390 5.5160
86.310 1.1262 4.1 ( 3 1 2) 43.155 0.4440 5.5792
86.461 1.1246 3.1 ( 1 2 8) 43.231 0.4446 5.5870
88.953 1.0994 7.2 ( 0 2 10) 44.477 0.4548 5.7149

6楼2013-07-09 08:00:39

gyliu

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PDF#80-1385: QM=Calculated(C); d=Calculated; I=Calculated
Aluminum Oxide
Al2.667 O4
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=19.327-87.595 I/Ic(RIR)=1.56
Ref: Calculated from ICSD using POWD-12++ (1997)

Cubic - (Unknown), Fd-3m (227) Z=8 mp=
CELL: 7.948 x 7.948 x 7.948 <90.0 x 90.0 x 90.0> P.S=cF53.34 ($GS) (Al2 Mg O4)
Density(c)=3.596 Density(m)=3.550 Mwt=135.96 Vol=502.08 F(16)=999.9(.0000,16/0)
Ref: Guse, W., Saalfeld, H.
Neues Jahrb. Mineral., Monatsh., v1990 p217 (1990)
Strong Lines: 2.40/X 1.41/6 1.99/5 2.81/4 1.53/3 1.62/1 4.59/1 1.21/1 2.29/1 1.15/1
FIZ=069213: Calc.
density unusual but tolerable.
At least one TF missing.
X-ray characterization and structure refinement of a new cubic alumina phase (sigma-Al2O3) with spinel-type structure e d a (FD3-MS) A21X32
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
19.327 4.5888 4.3 ( 1 1 1) 9.664 0.1090 1.3692 3
31.819 2.8100 33.0 ( 2 2 0) 15.909 0.1779 2.2360 8
37.499 2.3964 100.0 ( 3 1 1) 18.749 0.2086 2.6219 11
39.233 2.2944 6.2 ( 2 2 2) 19.617 0.2179 2.7385 12
45.618 1.9870 58.1 ( 4 0 0) 22.809 0.2516 3.1621 16
49.978 1.8234 0.1 ( 3 3 1) 24.989 0.2742 3.4459 19
56.691 1.6224 15.5 ( 4 2 2) 28.345 0.3082 3.8728 24
60.475 1.5296 48.9 ( 5 1 1) 30.238 0.3269 4.1078 27
66.492 1.4050 99.5 ( 4 4 0) 33.246 0.3559 4.4720 32
69.969 1.3435 0.9 ( 5 3 1) 34.985 0.3722 4.6769 35
71.111 1.3247 0.2 ( 4 4 2) 35.555 0.3775 4.7432 36
75.605 1.2567 6.3 ( 6 2 0) 37.803 0.3979 4.9998 40
78.916 1.2121 13.6 ( 5 3 3) 39.458 0.4125 5.1839 43
80.011 1.1982 0.2 ( 6 2 2) 40.005 0.4173 5.2438 44
84.358 1.1472 8.8 ( 4 4 4) 42.179 0.4358 5.4770 48
87.595 1.1129 0.9 ( 5 5 1) 43.798 0.4493 5.6456 51

7楼2013-07-09 08:02:50