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风在云在: 金币+20, ★★★★★最佳答案 2017-02-11 13:52:30
Name and formula
Reference code: 00-044-1087
Compound name: Indium Oxide
PDF index name: Indium Oxide
Empirical formula: In2O3
Chemical formula: In2O3
Crystallographic parameters
Crystal system: Cubic
Space group: I213
Space group number: 199
a (?): 10.1180
b (?): 10.1180
c (?): 10.1180
Alpha (°): 90.0000
Beta (°): 90.0000
Gamma (°): 90.0000
Calculated density (g/cm^3): 7.12
Volume of cell (10^6 pm^3): 1035.82
Z: 16.00
RIR: 7.12
Status, subfiles and quality
Status: Marked as deleted by ICDD
Subfiles: Alloy, metal or intermetalic
Inorganic
Quality: Calculated (C)
Comments
Creation Date: 1970/1/1
Modification Date: 1970/1/1
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 6-416. Atomic positions from Zachariasen, W., \ITSkr. Nor. Vidensk.-Akad.\RG, In(1) in 8a, In(2) in 12b with x=0.021, In(3) in 12b with x=0.542, O(1) in 24c, O(2) in 24c. Isotropic thermal parameters estimated as B=1.0 for each atom. Intensity threshold for <1=0.1%. Deleted Or Rejected By: Deleted: calculated with incorrect space group, WFM 12/94.
References
Primary reference: Grier, D., McCarthy, G., North Dakota State University, Fargo, North Dakota, USA., ICDD Grant-in-Aid, (1991)
Peak list
No. h k l d [A] 2Theta[deg] I [%]
1 1 1 0 7.15500 12.361 1.0
2 2 0 0 5.05900 17.516 1.0
3 2 1 1 4.13100 21.493 2.0
4 3 1 0 3.20000 27.858 1.0
5 2 2 2 2.92100 30.581 100.0
6 3 2 1 2.70400 33.103 5.0
7 4 0 0 2.53000 35.452 28.0
8 4 1 1 2.38480 37.689 3.0
9 4 2 0 2.26250 39.810 1.0
10 3 3 2 2.15720 41.842 1.0
11 4 2 2 2.06530 43.798 1.0
12 4 3 1 1.98430 45.685 3.0
13 5 2 1 1.84730 49.289 2.0
14 4 4 0 1.78860 51.020 35.0
15 4 3 3 1.73520 52.709 1.0
16 6 0 0 1.68630 54.361 1.0
17 6 1 1 1.64140 55.977 2.0
18 6 2 0 1.59980 57.567 1.0
19 5 4 1 1.56120 59.129 1.0
20 6 2 2 1.52530 60.665 11.0
21 6 3 1 1.49180 62.176 1.0
22 4 4 4 1.46040 63.668 4.0
23 5 4 3 1.43090 65.140 1.0
24 0 4 6 1.40310 66.597 1.0
25 6 3 3 1.37690 68.035 1.0
26 6 4 2 1.35210 69.460 1.0
27 0 3 7 1.32860 70.871 1.0
28 1 5 6 1.28500 73.662 1.0
29 8 0 0 1.26480 75.039 3.0
30 8 1 1 1.24540 76.416 1.0
31 8 2 0 1.22700 77.775 1.0
32 6 5 3 1.20930 79.134 1.0
33 8 2 2 1.19240 80.483 1.0
34 8 3 1 1.17620 81.825 1.0
35 6 6 2 1.16060 83.167 3.0
36 2 5 7 1.14560 84.505 1.0
37 8 4 0 1.13120 85.837 3.0
38 8 3 3 1.11730 87.170 1.0
39 2 4 8 1.10400 88.491 1.0
40 7 6 1 1.09110 89.818 1.0
41 8 5 1 1.06650 92.484 1.0
42 7 6 3 1.04360 95.143 1.0
43 8 4 4 1.03270 96.474 2.0
44 3 5 8 1.02210 97.814 1.0
45 8 6 0 1.01180 99.161 1.0 |
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