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3楼: Originally posted by gyliu at 2023-04-19 07:52:38
PDF#65-1209: QM=Calculated(C); d=Calculated; I=Calculated
Bismuth Oxide
Bi2 O3
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=16.176-149.955 I/Ic(RIR)=21.42
Ref: Calculated from NIST us ...

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PDF#65-1209: QM=Calculated(C); d=Calculated; I=Calculated
Bismuth Oxide
Bi2 O3
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=16.176-149.955 I/Ic(RIR)=21.42
Ref: Calculated from NIST using POWD-12++

Tetragonal - (Unknown),  P-421c (114) Z=4 mp=
CELL: 7.7425 x 7.7425 x 5.6313 <90.0 x 90.0 x 90.0> P.S=tP20 (Bi2 O3)
Density(c)=9.166 Density(m)=9.050 Mwt=465.96 Vol=337.58 F(30)=999.9(.0006,31/0)
Ref: B.Aurivillius & G.Malmros
Trans. Roy. Inst. Techn. p545-5 (1972)
Strong Lines: 3.19/X 2.74/3 1.96/2 1.65/2 2.82/2 1.69/1 1.94/1 1.60/1 1.27/1 1.25/1
NOTE:  N 3009       8144 No TF given for entry, B=1.0 assumed
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
16.176 5.4748 1.3 ( 1 1 0) 8.088 0.0913 1.1477
19.475 4.5541 0.1 ( 1 0 1) 9.738 0.1098 1.3797
22.954 3.8712 0.1 ( 2 0 0) 11.477 0.1292 1.6230
25.707 3.4625 2.9 ( 2 1 0) 12.854 0.1444 1.8146
27.945 3.1901 100.0 ( 2 0 1) 13.973 0.1567 1.9696
30.277 2.9496 2.3 ( 2 1 1) 15.138 0.1695 2.1302
31.754 2.8156 15.1 ( 0 0 2) 15.877 0.1776 2.2315
32.687 2.7374 25.3 ( 2 2 0) 16.343 0.1827 2.2953
33.848 2.6461 1.1 ( 1 0 2) 16.924 0.1890 2.3745
35.833 2.5039 0.3 ( 1 1 2) 17.917 0.1997 2.5093
36.674 2.4484 0.1 ( 3 1 0) 18.337 0.2042 2.5663
38.333 2.3462 0.5 ( 3 0 1) 19.166 0.2131 2.6781
39.544 2.2771 0.1 ( 2 0 2) 19.772 0.2196 2.7593
40.126 2.2453 0.4 ( 3 1 1) 20.063 0.2227 2.7983
41.293 2.1846 1.1 ( 2 1 2) 20.647 0.2289 2.8762
42.042 2.1474 0.5 ( 3 2 0) 21.021 0.2328 2.9260
45.151 2.0064 1.3 ( 3 2 1) 22.576 0.2492 3.1315
46.215 1.9627 21.6 ( 2 2 2) 23.107 0.2547 3.2013
46.900 1.9356 10.4 ( 4 0 0) 23.450 0.2583 3.2461
47.766 1.9025 0.3 ( 3 0 2) 23.883 0.2628 3.3025
48.434 1.8778 1.0 ( 4 1 0) 24.217 0.2663 3.3460
49.280 1.8476 0.1 ( 3 1 2) 24.640 0.2706 3.4008
49.770 1.8305 0.1 ( 4 0 1) 24.885 0.2731 3.4325
49.953 1.8242 0.5 ( 1 0 3) 24.976 0.2741 3.4443
49.953 1.8242 0.5 ( 3 3 0) 24.976 0.2741 3.4443
51.240 1.7814 2.3 ( 4 1 1) 25.620 0.2807 3.5271
52.836 1.7313 0.1 ( 4 2 0) 26.418 0.2888 3.6292
53.632 1.7075 0.4 ( 3 2 2) 26.816 0.2928 3.6798
54.265 1.6890 11.8 ( 2 0 3) 27.133 0.2960 3.7200
55.481 1.6548 19.8 ( 4 2 1) 27.741 0.3021 3.7969
55.651 1.6502 11.5 ( 2 1 3) 27.825 0.3030 3.8075
57.752 1.5951 8.6 ( 4 0 2) 28.876 0.3135 3.9391
59.083 1.5623 1.4 ( 4 1 2) 29.542 0.3200 4.0219
59.661 1.5485 0.6 ( 4 3 0) 29.831 0.3229 4.0576
60.396 1.5314 0.1 ( 3 3 2) 30.198 0.3265 4.1029
60.967 1.5184 0.2 ( 3 0 3) 30.483 0.3293 4.1379
60.967 1.5184 0.2 ( 5 1 0) 30.483 0.3293 4.1379
62.115 1.4931 0.9 ( 4 3 1) 31.058 0.3349 4.2082
62.273 1.4897 0.6 ( 3 1 3) 31.136 0.3356 4.2178
62.973 1.4748 0.1 ( 4 2 2) 31.487 0.3390 4.2604
63.391 1.4661 0.1 ( 5 1 1) 31.695 0.3410 4.2857
64.790 1.4377 0.2 ( 5 2 0) 32.395 0.3478 4.3702
66.054 1.4133 0.4 ( 3 2 3) 33.027 0.3538 4.4458
66.343 1.4078 1.5 ( 0 0 4) 33.171 0.3552 4.4631
67.138 1.3931 0.1 ( 5 2 1) 33.569 0.3589 4.5103
67.575 1.3851 0.2 ( 1 0 4) 33.788 0.3610 4.5362
68.497 1.3687 2.1 ( 4 4 0) 34.249 0.3653 4.5907
69.180 1.3568 1.0 ( 4 3 2) 34.590 0.3685 4.6307
69.727 1.3475 0.1 ( 4 0 3) 34.864 0.3710 4.6627
70.388 1.3365 0.2 ( 5 1 2) 35.194 0.3741 4.7013
70.932 1.3276 0.7 ( 5 3 0) 35.466 0.3766 4.7328
70.932 1.3276 0.7 ( 4 1 3) 35.466 0.3766 4.7328
71.211 1.3231 0.4 ( 2 0 4) 35.605 0.3779 4.7490
72.405 1.3041 0.3 ( 2 1 4) 36.202 0.3834 4.8178
73.170 1.2924 0.2 ( 5 3 1) 36.585 0.3869 4.8617
73.300 1.2904 0.1 ( 6 0 0) 36.650 0.3875 4.8691
73.963 1.2805 0.2 ( 5 2 2) 36.982 0.3905 4.9069
74.496 1.2726 6.6 ( 6 1 0) 37.248 0.3929 4.9372
74.496 1.2726 6.6 ( 4 2 3) 37.248 0.3929 4.9372
75.525 1.2578 2.7 ( 6 0 1) 37.763 0.3975 4.9953
75.942 1.2520 3.2 ( 2 2 4) 37.971 0.3994 5.0187
76.694 1.2415 0.8 ( 6 1 1) 38.347 0.4027 5.0608
77.108 1.2359 0.2 ( 3 0 4) 38.554 0.4046 5.0839
77.475 1.2310 2.6 ( 4 4 2) 38.738 0.4062 5.1043
77.984 1.2242 2.3 ( 6 2 0) 38.992 0.4084 5.1325
78.269 1.2205 1.2 ( 3 1 4) 39.135 0.4097 5.1483
79.141 1.2092 0.1 ( 5 4 0) 39.570 0.4135 5.1962
79.789 1.2010 0.1 ( 5 3 2) 39.895 0.4163 5.2317
80.168 1.1963 0.1 ( 6 2 1) 40.084 0.4180 5.2524
80.310 1.1945 0.4 ( 5 0 3) 40.155 0.4186 5.2601
81.317 1.1822 0.5 ( 5 4 1) 40.658 0.4229 5.3147
81.725 1.1774 0.3 ( 3 2 4) 40.862 0.4247 5.3367
82.086 1.1731 0.1 ( 6 0 2) 41.043 0.4262 5.3561
83.230 1.1599 0.8 ( 6 1 2) 41.615 0.4311 5.4172
83.731 1.1542 0.3 ( 6 3 0) 41.865 0.4332 5.4439
84.886 1.1414 0.2 ( 5 2 3) 42.443 0.4381 5.5048
85.150 1.1385 1.9 ( 4 0 4) 42.575 0.4392 5.5187
85.883 1.1307 0.8 ( 6 3 1) 42.942 0.4422 5.5570
86.287 1.1264 0.5 ( 4 1 4) 43.144 0.4439 5.5780
86.647 1.1227 3.0 ( 6 2 2) 43.323 0.4454 5.5966
87.424 1.1147 0.2 ( 1 0 5) 43.712 0.4486 5.6368
87.424 1.1147 0.2 ( 3 3 4) 43.712 0.4486 5.6368
87.782 1.1111 0.3 ( 5 4 2) 43.891 0.4500 5.6552
89.414 1.0949 0.1 ( 7 1 0) 44.707 0.4566 5.7383
89.693 1.0923 0.1 ( 4 2 4) 44.847 0.4578 5.7524
90.563 1.0840 0.2 ( 5 3 3) 45.281 0.4612 5.7961
90.842 1.0814 1.7 ( 2 0 5) 45.421 0.4624 5.8101
91.558 1.0748 0.1 ( 7 1 1) 45.779 0.4652 5.8457
91.976 1.0710 0.2 ( 2 1 5) 45.988 0.4668 5.8665
92.320 1.0679 0.4 ( 6 3 2) 46.160 0.4682 5.8835
92.833 1.0634 1.3 ( 7 2 0) 46.416 0.4702 5.9087
92.833 1.0634 1.3 ( 6 0 3) 46.416 0.4702 5.9087
93.829 1.0547 2.3 ( 6 4 1) 46.915 0.4741 5.9574
93.969 1.0535 0.8 ( 6 1 3) 46.985 0.4746 5.9642
94.967 1.0450 0.1 ( 7 2 1) 47.483 0.4785 6.0124
95.372 1.0417 0.4 ( 4 3 4) 47.686 0.4800 6.0318
96.527 1.0323 0.2 ( 5 1 4) 48.264 0.4844 6.0869
96.527 1.0323 0.2 ( 3 0 5) 48.264 0.4844 6.0869
96.872 1.0295 0.1 ( 7 0 2) 48.436 0.4857 6.1032
97.389 1.0254 0.1 ( 6 2 3) 48.694 0.4876 6.1275
97.670 1.0232 0.1 ( 3 1 5) 48.835 0.4887 6.1407
98.016 1.0205 0.2 ( 7 1 2) 49.008 0.4900 6.1569
98.535 1.0165 0.3 ( 7 3 0) 49.267 0.4919 6.1811
98.535 1.0165 0.3 ( 5 4 3) 49.267 0.4919 6.1811
99.951 1.0059 0.1 ( 5 2 4) 49.976 0.4971 6.2464
100.313 1.0032 0.1 ( 6 4 2) 50.157 0.4984 6.2630
100.693 1.0005 0.1 ( 7 3 1) 50.347 0.4998 6.2802
101.119 0.9974 0.2 ( 3 2 5) 50.560 0.5013 6.2996
101.469 0.9949 0.1 ( 7 2 2) 50.735 0.5026 6.3153
101.977 0.9913 0.3 ( 6 5 0) 50.989 0.5044 6.3382
103.155 0.9832 0.5 ( 6 3 3) 51.577 0.5085 6.3906
103.426 0.9814 1.0 ( 4 4 4) 51.713 0.5095 6.4026
104.178 0.9763 0.3 ( 6 5 1) 52.089 0.5121 6.4356
104.610 0.9735 0.1 ( 4 0 5) 52.305 0.5136 6.4545
105.480 0.9678 0.4 ( 8 0 0) 52.740 0.5166 6.4921
105.785 0.9659 0.4 ( 4 1 5) 52.893 0.5177 6.5053
105.785 0.9659 0.4 ( 5 3 4) 52.893 0.5177 6.5053
106.661 0.9603 0.4 ( 8 1 0) 53.330 0.5206 6.5427
107.327 0.9562 0.1 ( 7 3 2) 53.663 0.5229 6.5709
107.718 0.9538 0.1 ( 8 0 1) 53.859 0.5242 6.5873
108.141 0.9513 0.1 ( 6 0 4) 54.071 0.5256 6.6051
108.912 0.9467 0.7 ( 8 1 1) 54.456 0.5282 6.6371
109.355 0.9441 2.4 ( 4 2 5) 54.678 0.5296 6.6554
109.355 0.9441 2.4 ( 6 1 4) 54.678 0.5296 6.6554
110.312 0.9385 0.3 ( 8 2 0) 55.156 0.5327 6.6946
110.312 0.9385 0.3 ( 0 0 6) 55.156 0.5327 6.6946
110.928 0.9351 0.4 ( 6 5 2) 55.464 0.5347 6.7195
111.478 0.9320 1.5 ( 1 0 6) 55.739 0.5365 6.7416
111.478 0.9320 1.5 ( 6 4 3) 55.739 0.5365 6.7416
112.551 0.9261 1.3 ( 8 2 1) 56.276 0.5399 6.7843
112.988 0.9238 2.3 ( 6 2 4) 56.494 0.5413 6.8016
114.226 0.9173 0.2 ( 5 4 4) 57.113 0.5451 6.8498
114.619 0.9153 0.8 ( 8 0 2) 57.310 0.5463 6.8650
115.168 0.9125 0.4 ( 6 6 0) 57.584 0.5480 6.8860
115.493 0.9108 0.3 ( 5 0 5) 57.746 0.5490 6.8983
115.874 0.9089 0.7 ( 8 1 2) 57.937 0.5501 6.9128
116.428 0.9062 0.5 ( 8 3 0) 58.214 0.5518 6.9336
116.428 0.9062 0.5 ( 2 1 6) 58.214 0.5518 6.9336
118.848 0.8947 0.3 ( 8 3 1) 59.424 0.5589 7.0228
119.309 0.8926 0.4 ( 6 3 4) 59.655 0.5602 7.0395
119.721 0.8907 0.2 ( 8 2 2) 59.860 0.5614 7.0542
120.365 0.8878 0.9 ( 2 2 6) 60.182 0.5632 7.0771
120.636 0.8866 0.2 ( 5 2 5) 60.318 0.5639 7.0867
121.688 0.8820 0.1 ( 3 0 6) 60.844 0.5669 7.1235
122.977 0.8766 0.2 ( 3 1 6) 61.489 0.5704 7.1678
122.977 0.8766 0.2 ( 6 5 3) 61.489 0.5704 7.1678
125.096 0.8680 0.5 ( 6 6 2) 62.548 0.5760 7.2385
125.706 0.8656 0.7 ( 8 4 0) 62.853 0.5776 7.2584
126.051 0.8643 0.2 ( 5 5 4) 63.025 0.5785 7.2696
126.495 0.8626 0.5 ( 8 3 2) 63.247 0.5796 7.2839
127.191 0.8600 0.3 ( 3 2 6) 63.596 0.5814 7.3061
127.191 0.8600 0.3 ( 8 0 3) 63.596 0.5814 7.3061
127.485 0.8589 0.2 ( 5 3 5) 63.743 0.5821 7.3153
128.571 0.8549 0.6 ( 8 1 3) 64.286 0.5848 7.3492
130.402 0.8485 0.7 ( 6 0 5) 65.201 0.5893 7.4048
130.402 0.8485 0.7 ( 7 2 4) 65.201 0.5893 7.4048
131.595 0.8445 0.7 ( 4 0 6) 65.798 0.5921 7.4400
131.909 0.8435 0.3 ( 6 1 5) 65.954 0.5928 7.4492
133.068 0.8397 1.2 ( 8 2 3) 66.534 0.5954 7.4824
133.068 0.8397 1.2 ( 4 1 6) 66.534 0.5954 7.4824
134.705 0.8346 0.1 ( 3 3 6) 67.352 0.5991 7.5280
136.057 0.8306 0.4 ( 7 6 1) 68.028 0.6020 7.5646
136.663 0.8288 0.3 ( 6 2 5) 68.332 0.6032 7.5806
137.165 0.8274 0.9 ( 8 4 2) 68.582 0.6043 7.5937
137.992 0.8251 0.5 ( 4 2 6) 68.996 0.6060 7.6150
138.342 0.8241 0.3 ( 5 4 5) 69.171 0.6067 7.6239
138.342 0.8241 0.3 ( 7 3 4) 69.171 0.6067 7.6239
139.623 0.8207 0.1 ( 8 5 0) 69.811 0.6092 7.6559
140.616 0.8181 0.1 ( 9 1 2) 70.308 0.6112 7.6800
141.430 0.8161 0.4 ( 9 3 0) 70.715 0.6127 7.6993
141.430 0.8161 0.4 ( 8 3 3) 70.715 0.6127 7.6993
143.055 0.8121 0.6 ( 8 5 1) 71.527 0.6157 7.7367
143.731 0.8105 0.4 ( 6 5 4) 71.865 0.6169 7.7518
144.986 0.8077 0.1 ( 9 3 1) 72.493 0.6190 7.7792
145.721 0.8061 0.3 ( 6 3 5) 72.861 0.6203 7.7948
146.335 0.8048 0.2 ( 9 2 2) 73.167 0.6213 7.8075
147.354 0.8026 0.3 ( 4 3 6) 73.677 0.6230 7.8282
148.583 0.8002 0.1 ( 1 0 7) 74.292 0.6249 7.8524
149.521 0.7984 0.1 ( 5 1 6) 74.761 0.6263 7.8702
149.955 0.7975 0.4 ( 8 0 4) 74.978 0.6269 7.8782

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