XRD晶格常数计算

1 0 #DIV/0! 0.5 #DIV/0! 0.111111111 5 1 0 #DIV/0! 0.555555556 9
9.106551188 2.960567509 #DIV/0! 6.054042925 #DIV/0! 3.652461471 33.81200535 9.139504769 2.966381929 #DIV/0! 6.404380472 58.53425676
1
1
2
24.21307973
R520 0.1542 44.971
2
0
0
24.60603388
0.1542 52.532
1
0
3
32.94552863
0.1542 53.235
2
1
1
33.76848104
0.1542 55.563
2
0
2
36.54712155
0.1542 64.247
0
0
4
47.56653263
36.47450142 0.573583 0.165579 48.62917936 0.573603 0.143401 57.73837872 0.573647 0.131604 60.78298254 0.57362 0.128265 73.03359486 0.57325 0.117014
四方：设 1 a2
58.58740617 58.5459 58.4771 -0.041506173 -0.11030617
1 0 #DIV/0! 0.5 #DIV/0! 0.111111111 5 1 0 #DIV/0! 0.555555556 9
9.127823018 2.974101349 #DIV/0! 6.061517311 #DIV/0! 3.663074429 33.83554075 9.149799519 2.980679488 #DIV/0! 6.407786873 58.42938963
0.4063866 0.406232289 0.406007346
0.40568277
0.405584121 0.405598671 0.405629479
0.40561032 0.405349166 0.40584145 0.000343069
X=(h^2+k^2)/(l^2) 1 0
#DIV/0! 0.5
Sample lamda theta*2 h
k
l
Result（a）
0.1542 26.2
1
1
1
0.589190559
0.1542 30.34
2
0
0
0.589259296
15Al1Nd( 40:10)52 0度8小时
0.1542 0.1542 0.1542 0.1542
43.42 51.44 53.9 64.939
0.1542 73.799
4
2
0
0.57427279
0.1542 82.25
4
2
2
0.574286609
0.574971341
0.000670825
0.1542 26.872
1
1
1
0.1542 31.139
2
0
0
0.1542 44.642
2
2
0
0.574717442 0.574499212 0.574181095
4
2
2
0.573250288
0.573946482
0.000485173
Sample lamda theta*2 h
k
l
D=1/d^2
0.1542 26.9
1
0
1
9.101236886
0.1542 30.803
0
0
2
11.86556433
0.1542 31.355
1
1
0
12.28388788
0.1542 44.591
ORIGIN
MATLAB
K
6.16321
6.1682
Ker
0.00207
B
2.98089
2.9798
Ber
0.00718
a
0.402806544 0.402643578
aer 6.76441E-05
c
0.579197962 0.579303886
cer
0.00069755
ORIGIN
MATLAB
K
6.1715
#DIV/0! 0.111111111 5 1 0
9.037579358 0.576149 0.33264 12.06555543 0.57578 0.28789 24.19247076 0.575049 0.203311 33.28291511 0.574891 0.173336 36.32337735 0.574775 0.165923 48.47618336 0.574508 0.143627 57.59762471 0.574347 0.131764 60.64479285 0.574273 0.128411 72.77024936 0.574287 0.117226
Der(O.)
Der(M.)
0.031543114 0.037463114
-0.041004331 0.020035669
#DIV/0!
#DIV/0!
-0.035239726 0.007120274
#DIV/0!
#DIV/0!
-0.163628631 -0.03562863
0.070858963 0.039418963
Y=D/(l^2) D(O.) D(M.) 9.101236886 9.13278 9.1387 2.966391083 11.82456 11.8856 #DIV/0! #DIV/0! #DIV/0! 6.053269931 24.17784 24.2202 #DIV/0! #DIV/0! #DIV/0! 3.660614292 32.7819 32.9099 33.76848104 33.83934 33.8079 9.136780388 36.53112 36.5548 2.972908289 47.29824 47.5424
0.1542 44.623
1
1
2
24.24606925
0.1542 45.024
2
0
0
24.66104903
0.1542 52.551
1
0
3
32.96766986
0.1542 53.292
2
1
1
33.83554075
R540GC 0.1542 55.606
2
0
2
36.59919808
0.1542 64.341
0
0.575779683
0.1542 44.571
2
2
0
0.575049038
0.1542 52.821
3
1
1
0.574891204
0.1542 55.378
2
2
2
0.574774526
R480 0.1542 64.933
4
0
0
0.574507604
0.1542 71.625
3
3
1
0.574347207
K,
1 c2
B,
则1 d2
hkl
D
4 sin 2 2
A=[1,1;0,4; 2,0;2,4;4,0 ;1,9;5,1;4, 4;0,16;8,0; 5,9;9,1]
D
h2 k 2
l2 K l2 B,
这里设 1 D，中间变量分别相当 d2
hkl
ua
1 2
3
K 2uK ,
uc和uB的关系同理。
0.1542 31.476
1
1
0
12.37647786
0.1542 44.62
1
1
2
24.24297568
0.1542 45.098
2
0
0
24.73794773
R560GC* 0.1542 52.498
1
0
3
32.90592152
0.1542 53.281
2
1
1
33.82259552
0.1542 55.58
2 3 2 4
2 1 2 0
0 1 2 0
0.589526872 0.589232198
0.58930743
0.1542 71.618
3
3
1
0.1542 73.776
4
2
0
0.589303271
0.000132007
0.1542 26.804
1
1
1
0.576148672
0.1542 31.068
2
0
1
1
0
12.30910794
0.1542 44.594
1
1
2
24.2161717
0.1542 44.989
2
0
0
24.62471256
R560GC 0.1542 52.469
1
0
3
32.87215324
0.1542 53.272
2
1
1
33.81200535
0.1542 55.572
2
0
2
36.55801907
0.260437712 9.33434E-05
D
a
d
8.641909158 0.589191 0.340169
11.51985748 0.589259 0.29463
23.01880507 0.589527 0.208429
31.682522 0.589232 0.17766
34.55392714 0.589307 0.170118
0.1542 64.168
0
0
4
47.46211087
0.1542 65.591
2
2
0
49.35350717
0.1542 71.655
2
1
3
57.63942425
0.1542 72.296
3
0
1
58.53425676
0.1542 26.98
1
0
1
9.154445697
0.1542 30.82
0
0
2
11.8783476
0.1542 65.574
2
2
0
49.33078256
0.1542 71.565
2
1
3
57.51404744
0.1542 72.334
3
0
1
58.58740617
0.1542 26.94
1
0
1
9.127823018
0.1542 30.844
0
0
2
11.8964054
0.1542 31.41
1
1
0
12.32593455
(next11),(n ext13),
(next16),(n ext17),(nex t14),(next1
2),
立方：1 d2
hkl
h2 k2 a2
l2
方：1 h2 k 2 l2
d2 hkl
a2
c2
1 d2
hkl
4sin2 2
Ker
B
2.968
Ber
a
0.402535913
aer
c
0.580454325
cer
h
k
l
1
1
1
0
0
2
0
2
2
1
1
3
2
2
2
0
0
4
1
3
3
0
2
4
2
2
4
FACE 3,14,5,10,8
,12 11,13,12,14 13,21,10,19 6,10,7,(nex
t2)
19,21,22,20
10,(next13) ,(next14)
立方：1 d2
hkl
h2 k2 l2 a2
四方：1 h2 k 2 l2
d2 hkl
a2 c2
9.082648346 0.574717 0.331813 12.11939991 0.574499 0.28725 24.26566561 0.574181 0.203004
33.41870087 0.573722 0.172984
2
0
2
36.56770674
0.1542 64.2
0
0
4
47.5043999
0.1542 65.634
2
2
0
49.41100072
0.1542 71.719
2
1
3
57.72862084
0.1542 72.201
3
0
1
58.40143249
(a/sqrt(2)) 0.416620639 0.416669244 0.416858449 0.416650083 0.41670328 0 0 0
0.1542 52.937
3
wenku.baidu.com
1
1
0.573722076
R500
0.1542 55.503 0.1542 65.048
2 4
2 0
2 0
0.573582564 0.573603141
0.1542 71.726
3
3
1
0.573646711
0.1542 73.897
4
2
0
0.573619616
0.1542 82.431
0
0
4
47.69087181
0.1542 65.636
2
2
0
49.41367532
0.1542 71.677
2
1
3
57.67008186
0.1542 72.221
3
0
1
58.42938963
0.1542 26.908
1
0
1
9.106551188
0.1542 30.772
0
0
2
11.84227004
0.1542 31.388
48.48416222 0.57446 0.143615
57.58787253 0.574396 0.131775
60.61237051 0.574426 0.128446
0.407398633 0.407137718 0.406621074 0.406509469 0.406426965 0.406238223 0.406124805 0.406072184 0.406081955 0.406566134 0.000474345
-0.016001553 0.007678447
-0.268292628 -0.02413263
#DIV/0! 0.555555556 9
#DIV/0! #DIV/0! #DIV/0! #DIV/0!
#DIV/0!
6.390449716 57.48846 57.5791 -0.025587444 0.065052556