Indexing the cubic Y2O3 data set

N 2θ    sin2 θ  R1  R2  R3  R4  R6 
1 20.50170.03167 n1=1 n1=2 n1=3 n1=4 n1=6
2 29.15640.06335 2.00 4.00 6.00 8.00 12.00
3 33.79200.08447 2.67 5.33 8.00 10.67 16.00
4 35.90890.09502 3.00 6.00 9.00 12.00 18.00
5 37.92440.10559 3.33 6.67 10.00 13.34 20.00
6 39.85090.11614 3.67 7.33 11.00 14.67 22.00
7 41.70460.12671 4.00 8.00 12.00 16.00 24.01
8 43.49240.13727 4.33 8.67 13.00 17.34 26.01
9 46.90310.15838 5.00 10.00 15.00 20.00 30.01
10 48.53850.16894 5.33 10.67 16.00 21.34 32.01
11 50.13250.17949 5.67 11.34 17.00 22.67 34.01
12 53.21760.20061 6.33 12.67 19.00 25.34 38.01
13 54.71180.21116 6.67 13.34 20.00 26.67 40.01
14 56.18130.22172 7.00 14.00 21.00 28.00 42.01
15 57.62570.23228 7.33 14.67 22.00 29.34 44.01
16 59.04650.24283 7.67 15.34 23.00 30.67 46.01
17 60.44820.25339 8.00 16.00 24.00 32.01 48.01
18 61.82650.26393 8.33 16.67 25.00 33.34 50.00
19 63.19400.27451 8.67 17.34 26.00 34.67 52.01
20 64.53890.28505 9.00 18.00 27.00 36.00 54.01
21 65.87260.29562 9.33 18.67 28.00 37.34 56.01
22 69.78970.3272710.33 20.67 31.00 41.34 62.00
23 71.07290.3378210.67 21.33 32.00 42.67 64.00
24 72.34880.3483911.00 22.00 33.00 44.00 66.01
25 73.61300.3589411.33 22.67 34.00 45.34 68.00
26 74.86750.3694711.67 23.33 35.00 46.67 70.00
27 76.11690.3800312.00 24.00 36.00 48.00 72.00
28 77.36120.3906012.33 24.67 37.00 49.33 74.00
29 78.59690.4011412.67 25.33 38.00 50.67 76.00
30 81.05340.4222413.33 26.67 40.00 53.33 80.00
31 82.27650.4328013.67 27.33 41.00 54.67 82.00
32 83.49660.4433714.00 28.00 42.00 56.00 84.00
33 84.71100.4539114.33 28.67 43.00 57.33 86.00
34 85.92300.4644514.67 29.33 44.00 58.66 87.99
35 87.13600.4750215.00 30.00 45.00 60.00 90.00
36 89.55690.4961315.67 31.33 47.00 62.66 94.00
37 90.76430.5066716.00 32.00 48.00 64.00 95.99
38 91.97480.5172316.33 32.66 49.00 65.33 97.99
39 93.18440.5277716.67 33.33 50.00 66.66 99.99
40 94.39650.5383317.00 34.00 51.00 67.99101.99
41 95.61030.5488817.33 34.66 52.00 69.33103.99
42 96.82360.5594117.66 35.33 52.99 70.66105.98
43 98.04550.5699818.00 36.00 53.99 71.99107.99
44 99.27110.5805518.33 36.66 55.00 73.33109.99
45101.72900.6016419.00 38.00 56.99 75.99113.99
46102.96700.6121919.33 38.66 57.99 77.32115.99
47104.21200.6227619.66 39.33 58.99 78.66117.99
48105.46100.6332920.00 39.99 59.99 79.99119.98
49106.71800.6438320.33 40.66 60.99 81.32121.98
50109.26100.6649421.00 41.99 62.99 83.99125.98
51110.54900.6755021.33 42.66 63.99 85.32127.98
52113.15200.6965922.00 43.99 65.99 87.98131.97
53114.47600.7071622.33 44.66 66.99 89.32133.98
54115.80400.7176522.66 45.32 67.98 90.64135.96
55115.82200.7177922.67 45.33 68.00 90.66135.99
56117.16000.7282423.00 45.99 68.99 91.98137.97
57118.52900.7388023.33 46.66 69.99 93.32139.97
58119.91400.7493523.66 47.32 70.99 94.65141.97
59121.32000.7599124.00 47.99 71.99 95.98143.97
60122.74400.7704424.33 48.66 72.98 97.31145.97
61124.19400.7810024.66 49.32 73.98 98.64147.97
62125.67000.7915624.99 49.99 74.98 99.98149.97
63127.17300.8021125.33 50.66 75.98101.31151.97
64128.70500.8126625.66 51.32 76.98102.64153.97
65131.87400.8337526.33 52.65 78.98105.31157.96
66133.52100.8443126.66 53.32 79.98106.64159.96
67135.21100.8548526.99 53.99 80.98107.97161.96
68136.95600.8654127.33 54.65 81.98109.31163.96
69138.75500.8759527.66 55.32 82.98110.64165.96
70140.62400.8865027.99 55.99 83.98111.97167.96
71142.57100.8970528.33 56.65 84.98113.30169.96
72144.61000.9076128.66 57.32 85.98114.64171.96
73146.75300.9181628.99 57.98 86.98115.97173.95
74149.02600.9287029.33 58.65 87.98117.30175.95
75151.46100.9392529.66 59.32 88.97118.63177.95
76154.10800.9498129.99 59.98 89.98119.97179.95
77157.03200.9603630.32 60.65 90.97121.30181.95
78160.36000.9709130.66 61.32 91.97122.63183.95
         79 164.3450 0.98145 30.99 61.98 92.97 123.96 185.95

You may notice how the "integer" values deviate from integer at the highest scattering angles: this is almost certainly due to a very tiny misalignment in the X-ray diffractometer.


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© Copyright 1997-2006.  Birkbeck College, University of London. Author(s): Jeremy Karl Cockcroft