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【答案】应助回帖
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感谢参与，应助指数 +1
flyboyflyfly: 金币+100, ★★★★★最佳答案, 谢谢 2021-05-17 17:53:17
PDF#75-2192: QM=Calculated(C); d=Calculated; I=Calculated
Calcium Silicon
Ca Si2
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=8.662-89.637 I/Ic(RIR)=2.16
Ref: Calculated from ICSD using POWD-12++ (1997)
Rhombohedral - (Unknown), R-3m (166) Z=6 mp=
CELL: 3.855 x 3.855 x 30.6 <90.0 x 90.0 x 120.0> P.S=hR6 (Ca Si2)
Density(c)=2.435 Density(m)=2.456 Mwt=96.25 Vol=393.82 F(30)=999.9(.0001,37/0)
Ref: Evers, J.
J. Solid State Chem., v28 p369 (1979)
Strong Lines: 2.65/X 3.06/7 1.93/7 2.14/6 3.32/4 1.92/4 2.52/3 2.55/2 1.54/2 1.45/1
FIZ=032006: At least one TF missing.
No R value given.
See PDF 01-072-0301.
Transformation of three-connected silicon nets in Ca Si2 Same parameters in \ITZ.
Anorg.
Allg.
Chem.\RG, \BF160\RG 152-164 (1927).
c3 (R3-MH) NO2
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
8.662 10.2000 0.1 ( 0 0 3) 4.331 0.0490 0.6160
17.374 5.1000 1.9 ( 0 0 6) 8.687 0.0980 1.2320
26.841 3.3188 41.5 ( 1 0 1) 13.420 0.1507 1.8932
27.319 3.2618 2.3 ( 0 1 2) 13.660 0.1533 1.9263
29.161 3.0598 73.3 ( 1 0 4) 14.580 0.1634 2.0534
30.475 2.9308 4.1 ( 0 1 5) 15.238 0.1706 2.1438
33.754 2.6532 100.0 ( 1 0 7) 16.877 0.1884 2.3681
35.164 2.5500 22.4 ( 0 0 12) 17.582 0.1961 2.4640
35.666 2.5152 29.1 ( 0 1 8) 17.833 0.1988 2.4981
39.932 2.2558 0.4 ( 1 0 10) 19.966 0.2217 2.7853
42.253 2.1371 64.5 ( 0 1 11) 21.126 0.2340 2.9400
47.110 1.9275 66.1 ( 1 1 0) 23.555 0.2594 3.2598
47.207 1.9238 36.9 ( 1 0 13) 23.603 0.2599 3.2661
49.824 1.8287 1.9 ( 0 1 14) 24.912 0.2734 3.4359
50.582 1.8030 0.4 ( 1 1 6) 25.291 0.2773 3.4848
53.886 1.7000 4.6 ( 0 0 18) 26.943 0.2941 3.6960
55.050 1.6668 3.6 ( 0 2 1) 27.525 0.3000 3.7696
55.313 1.6595 1.5 ( 2 0 2) 27.656 0.3013 3.7862
55.313 1.6595 1.5 ( 1 0 16) 27.656 0.3013 3.7862
56.368 1.6309 7.6 ( 0 2 4) 28.184 0.3066 3.8526
57.150 1.6104 0.4 ( 2 0 5) 28.575 0.3105 3.9016
58.178 1.5844 0.8 ( 0 1 17) 29.089 0.3156 3.9657
59.201 1.5594 13.7 ( 0 2 7) 29.600 0.3206 4.0291
60.125 1.5376 19.2 ( 1 1 12) 30.063 0.3252 4.0862
60.461 1.5299 5.0 ( 2 0 8) 30.230 0.3268 4.1069
63.423 1.4654 0.1 ( 0 2 10) 31.712 0.3412 4.2877
64.149 1.4506 14.2 ( 1 0 19) 32.075 0.3447 4.3316
65.116 1.4313 13.0 ( 2 0 11) 32.558 0.3493 4.3897
67.257 1.3909 0.1 ( 0 1 20) 33.628 0.3595 4.5174
68.902 1.3616 0.3 ( 0 2 13) 34.451 0.3672 4.6145
70.990 1.3266 0.4 ( 2 0 14) 35.495 0.3769 4.7362
73.730 1.2839 1.8 ( 1 0 22) 36.865 0.3894 4.8937
74.336 1.2750 7.8 ( 0 0 24) 37.168 0.3922 4.9281
74.336 1.2750 7.8 ( 1 1 18) 37.168 0.3922 4.9281
75.318 1.2608 2.0 ( 2 1 1) 37.659 0.3966 4.9836
75.540 1.2576 1.5 ( 1 2 2) 37.770 0.3976 4.9961
75.540 1.2576 1.5 ( 0 2 16) 37.770 0.3976 4.9961
76.441 1.2450 4.7 ( 2 1 4) 38.220 0.4016 5.0467
77.108 1.2359 5.2 ( 1 2 5) 38.554 0.4046 5.0839
77.108 1.2359 5.2 ( 0 1 23) 38.554 0.4046 5.0839
78.002 1.2240 0.3 ( 2 0 17) 39.001 0.4085 5.1335
78.894 1.2124 8.9 ( 2 1 7) 39.447 0.4124 5.1827
80.002 1.1983 2.9 ( 1 2 8) 40.001 0.4173 5.2433
82.646 1.1666 0.1 ( 2 1 10) 41.323 0.4286 5.3861
83.303 1.1590 5.2 ( 0 2 19) 41.651 0.4314 5.4211
84.181 1.1492 9.9 ( 1 2 11) 42.091 0.4351 5.4677
84.181 1.1492 9.9 ( 1 0 25) 42.091 0.4351 5.4677
86.147 1.1279 0.1 ( 2 0 20) 43.073 0.4433 5.5707
87.605 1.1128 6.5 ( 2 1 13) 43.803 0.4493 5.6461
87.605 1.1128 6.5 ( 3 0 0) 43.803 0.4493 5.6461
87.890 1.1100 4.7 ( 0 1 26) 43.945 0.4505 5.6607
88.259 1.1063 0.9 ( 3 0 3) 44.129 0.4520 5.6796
89.637 1.0928 0.4 ( 1 2 14) 44.818 0.4575 5.7496 |
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