Thành Space

Loại cấu trúc Thông số mạng

phần Group

CsBr FCC Pm3m 4.33

STT h k l
1 0 0 1
2 0 1 1
3 1 1 1
4 0 0 2
5 0 1 2
6 1 1 2
7 0 2 2
8 0 0 3
9 1 2 2
10 0 1 3
11 1 1 3
12 2 2 2
13 0 2 3
14 1 2 3
 Tọa độ motif

Cs (0, 0, 0)

Br (0.5, 0.5, 0.5)

h^2+k^2+l^2 sin^2θ θ 2θ sin(θ)/λ f(Cs+) f(Br-)

1 0.03162319 10.243336441 20.48667 0.11547344 49.309 31.535
2 0.06324638 14.565601021 29.1312 0.16330411 46.606 29.613
3 0.09486957 17.939286589 35.87857 0.20000587 43.888 27.749
4 0.12649275 20.833789239 41.66758 0.23094688 42.578 26.876
5 0.15811594 23.430598411 46.8612 0.25820646 40.121 25.276
6 0.18973913 25.822877745 51.64576 0.28285101 38.982 24.545
8 0.25298551 30.197129628 60.39426 0.32660821 36.881 23.206
9 0.2846087 32.241381733 64.48276 0.34642032 35.44 22.288
9 0.2846087 32.241381733 64.48276 0.34642032 35.44 22.248
10 0.31623189 34.218124924 68.43625 0.36515908 34.981 21.995
11 0.34785507 36.142277604 72.28456 0.38298208 34.094 21.425
12 0.37947826 38.025932376 76.05186 0.40001173 33.241 20.874
13 0.41110145 39.879263412 79.75853 0.41634541 32.419 20.338
14 0.44272464 41.711144014 83.42229 0.43206205 32.419 20.338
 F^2 λ a p Lp I tuyet doi I tuong doi
6535.752 1.54 4.33 6 59.7029503 2341222.1809 100.00
5809.336 1.54 4.33 12 28.2055189 1966264.0246 83.98
5131.86 1.54 4.33 24 17.7898612 2191081.747 93.59
4823.858 1.54 4.33 6 12.6449634 365985.05523 15.63
4276.768 1.54 4.33 24 9.608778 986268.25217 42.13
4035.68 1.54 4.33 24 7.62743902 738765.62491 31.55
3610.448 1.54 4.33 12 5.24918129 227422.7261 9.71
3332.522 1.54 4.33 6 4.50149494 90007.985069 3.84
3327.905 1.54 4.33 24 4.50149494 359533.17752 15.36
3246.265 1.54 4.33 24 3.9314559 306301.10478 13.08
3082.359 1.54 4.33 24 3.49157954 258295.26921 11.03
2928.433 1.54 4.33 8 3.15042802 73806.544581 3.15
2783.301 1.54 4.33 24 2.88648658 192815.06722 8.24
2783.301 1.54 4.33 48 2.68467848 358668.88402 15.32
Thành Loại cấu Space
Thông số mạng Tọa độ motif
phần trúc Group
I (0, 0, 0)
AgI FCC F m3m 6.0339
Ag (0.5, 0.5, 0.5)

STT h k l h^2+k^2+l^2 sin^2θ θ

1 1 1 1 3 0.04885 12.7696
2 2 0 0 4 0.06514 14.7869
3 2 2 0 8 0.13028 21.1581
4 3 1 1 11 0.17913 25.0395
5 2 2 2 12 0.19542 26.2355
6 4 0 0 16 0.26056 30.6938
7 3 3 1 19 0.30941 33.7968
8 4 2 0 20 0.3257 34.799
9 4 2 2 24 0.39084 38.6947
 2θ sin(θ)/λ f(Ag+) f(I-) F^2 λ a p Lp
25.5392 0.143526642 41.37585 46.1729 122637 1.54 6.0339 8 37.4639888
29.5738 0.165730291 40.128098 44.574 114791 1.54 6.0339 6 27.2939184
42.3161 0.234378025 36.097332 40.1721 93072.5 1.54 6.0339 12 12.2004808
50.0789 0.274832595 33.7915996 37.9391 82324.8 1.54 6.0339 24 8.20885001
52.471 0.287053284 33.1226525 37.307 79365.5 1.54 6.0339 8 7.34395425
61.3875 0.331460581 30.8222743 35.1368 69609.5 1.54 6.0339 6 5.05055388
67.5936 0.361200794 29.4065046 33.771 63862.3 1.54 6.0339 24 4.04203559
69.5981 0.370584196 28.9884741 33.3567 62190.7 1.54 6.0339 24 3.78780058
77.3894 0.405954647 27.4906005 31.8337 56309.9 1.54 6.0339 24 3.0476291
I tuyet doi I tuong doi
36755629.4 100.00
18798604.2 51.14
13626351.6 37.07
16218999.2 44.13
4662851.55 12.69
2109400.66 5.74
6195210.79 16.86
5653587.55 15.38
4118683.88 11.21
Thành Loại cấu Space
Thông số mạng Tọa độ motif
phần trúc Group
Cs BCC I m3m 6.067 Cs (0, 0, 0)

Xác định Vị trí và Cường độ tín hiệu

STT h k l h^2+k^2+l^2 sin^2θ
1 0 1 1 2 0.03221539466
2 0 0 2 4 0.06443078932
3 1 1 2 6 0.09664618398
4 0 2 2 8 0.12886157864
5 0 1 3 10 0.1610769733
6 2 2 2 12 0.19329236796
7 1 2 3 14 0.22550776263
8 0 0 4 16 0.25772315729
9 1 1 4 18 0.28993855195
10 0 3 3 18 0.28993855195
11 0 2 4 20 0.32215394661
12 2 3 3 22 0.35436934127
13 2 2 4 24 0.38658473593
14 0 1 5 26 0.41880013059
15 1 3 4 26 0.41880013059
16 1 2 5 30 0.48323091991
 θ 2θ sin(θ)/λ f(Cs+) F^2 λ a p Lp
10.3398 20.6797 0.11655 49.309 2431.38 1.54 6.067 12 58.54267983
14.7044 29.4088 0.16483 46.606 2172.12 1.54 6.067 6 27.6288964
18.1123 36.2245 0.20187 43.888 1926.16 1.54 6.067 24 17.40936389
21.0371 42.0743 0.2331 42.578 1812.89 1.54 6.067 12 12.36373158
23.6622 47.3244 0.26061 40.121 1609.69 1.54 6.067 24 9.388094718
26.0816 52.1631 0.28549 38.982 1519.6 1.54 6.067 8 7.447978661
28.3513 56.7026 0.30836 37.904 1436.71 1.54 6.067 48 6.100198234
30.5084 61.0168 0.32965 36.881 1360.21 1.54 6.067 6 5.123327659
32.5788 65.1577 0.34965 35.44 1255.99 1.54 6.067 24 4.394529697
32.5788 65.1577 0.34965 35.44 1255.99 1.54 6.067 12 4.394529697
34.5821 69.1641 0.36856 34.981 1223.67 1.54 6.067 24 3.840294213
36.5333 73.0665 0.38655 34.094 1162.4 1.54 6.067 24 3.414054941
38.4447 76.8895 0.40374 33.241 1104.96 1.54 6.067 24 3.08500813
40.3269 80.6538 0.42023 32.419 1050.99 1.54 6.067 24 2.832104743
40.3269 80.6538 0.42023 32.419 1050.99 1.54 6.067 48 2.832104743
44.039 88.078 0.45139 31.236 975.688 1.54 6.067 48 2.500195584
 I tuyet doi I tuong doi
1708072.24109173 100.00
360079.543981078 21.08
804795.844211341 47.12
268968.443040543 15.75
362687.178144624 21.23
90543.3679524469 5.30
420683.300319562 24.63
41812.7525585325 2.45
132468.028183294 7.76
66234.0140916472 3.88
112782.100945658 6.60
95244.0076110475 5.58
81811.7561503061 4.79
71436.436423146 4.18
142872.872846292 8.36
117091.683311783 6.86