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【答案】应助回帖
感谢参与，应助指数 +1
PDF#43-1004: QM=Calculated(C); d=Calculated; I=Calculated
Cobalt Oxide
Co O
Radiation=CuKa1 Lambda=1.54056 Filter=
Calibration= 2T=36.503-139.967 I/Ic(RIR)=4.55
Ref: Grier, D., McCarthy, G., North Dakota State University, Fargo, North Dakota, USA.
ICDD Grant-in-Aid (1991)
Cubic - (Unknown), Fm-3m (225) Z=4 mp=
CELL: 4.26 x 4.26 x 4.26 <90.0 x 90.0 x 90.0> P.S=cF8 (Cl Na)
Density(c)=6.437 Density(m)=7.78A Mwt=74.93 Vol=77.31 F(10)=249.9(.0040,10/0)
Ref: Ibid.
Strong Lines: 2.13/X 2.46/7 1.51/5 1.28/2 0.95/2 1.23/1 0.87/1 0.98/1 0.82/1 1.07/1
NOTE: Calculation of diffractometer peak intensities done with MICRO-POWD v.
2.2 (D.
Smith and K.
Smith) using default instrument broadening function (NBS Table), diffracted beam monochromator polarization correction, and atomic scattering factors corrected for anomalous dispersion.
Cell parameters from 9-402.
Atomic positions from Sasaki, S.
et al., Proc.
Jpn.
Acad., 55 43-48 (1979): Co in 4a, O in 4b.
Isotropic thermal parameters from same source: Co, B=.509; O, B=.67.
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
36.503 2.4595 58.0 ( 1 1 1) 18.251 0.2033 2.5547 3
42.401 2.1300 100.0 ( 2 0 0) 21.201 0.2347 2.9499 4
61.520 1.5061 71.0 ( 2 2 0) 30.760 0.3320 4.1718 8
73.700 1.2844 33.0 ( 3 1 1) 36.850 0.3893 4.8919 11
77.562 1.2298 23.0 ( 2 2 2) 38.781 0.4066 5.1091 12
92.650 1.0650 12.0 ( 4 0 0) 46.325 0.4695 5.8997 16
104.030 0.9773 15.0 ( 3 3 1) 52.015 0.5116 6.4291 19
107.920 0.9526 36.0 ( 4 2 0) 53.960 0.5249 6.5958 20
124.697 0.8696 32.0 ( 4 2 2) 62.348 0.5750 7.2254 24
139.967 0.8198 18.0 ( 5 1 1) 69.984 0.6099 7.6643 27 |
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