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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
lyy1220: 金币+10, ★有帮助 2023-08-30 10:08:38
PDF#01-073-2062(RDB): 质标=定胞(I); d=计算值; I=计算值
Bismuth Oxide Iodide
Bi O I
射线=CuKá1 波长=1.5406 滤波法=
校准= 2θ=9.682-149.152 I/Ic(K值)=17.7
文献: Sillen, L.G.
Sven. Kem. Tidskr., v53 p39 (1941)
四方晶系 - 单晶衍射, P4/nmm (129) Z=2
晶胞: 3.984 x 3.984 x 9.128 <90.0 x 90.0 x 90.0> P.S=tP6.00
密度(计算)=8.066 密度(测量)= 分子量=351.88 体积=144.88 F(30)=999.9(0.0002,37/0)
文献: 出处同上
强峰线: 3.00/X 2.82/4 9.13/4 1.66/3 1.66/3 1.99/2 1.77/1 2.42/1
ANX: AXY.
Analysis: Bi1 I1 O1.
Formula from original source: Bi O I.
ICSD Collection Code: 24610.
Calculated Pattern Original Remarks: Atoms shifted by 0 1/2 0 to fit space group setting.
Minor Warning: No e.s.d reported/abstracted on the cell dimension.
No R factors reported/abstracted.
Wyckoff Sequence: c2 a(P4/NMMS).
Unit Cell Data Source: Single Crystal.
2θ d(埃) I(f) ( h k l ) θ 1/(2d) 2π/d n^2
9.682 9.1280 37.1 ( 0 0 1) 4.841 0.0548 0.6883
19.433 4.5640 3.7 ( 0 0 2) 9.717 0.1096 1.3767
24.357 3.6514 2.1 ( 1 0 1) 12.179 0.1369 1.7208
29.743 3.0014 100.0 ( 1 0 2) 14.871 0.1666 2.0934
31.737 2.8171 42.2 ( 1 1 0) 15.869 0.1775 2.2304
33.256 2.6918 2.3 ( 1 1 1) 16.628 0.1857 2.3342
37.151 2.4181 8.5 ( 1 0 3) 18.575 0.2068 2.5984
37.487 2.3972 5.4 ( 1 1 2) 18.743 0.2086 2.6210
39.456 2.2820 6.5 ( 0 0 4) 19.728 0.2191 2.7534
43.757 2.0671 0.8 ( 1 1 3) 21.878 0.2419 3.0396
45.498 1.9920 16.7 ( 2 0 0) 22.749 0.2510 3.1542
45.785 1.9802 6.5 ( 1 0 4) 22.893 0.2525 3.1731
46.631 1.9462 2.1 ( 2 0 1) 23.316 0.2569 3.2284
49.914 1.8256 2.3 ( 2 0 2) 24.957 0.2739 3.4417
49.914 1.8256 2.3 ( 0 0 5) 24.957 0.2739 3.4417
51.495 1.7732 13.5 ( 1 1 4) 25.747 0.2820 3.5434
52.271 1.7487 0.6 ( 2 1 1) 26.136 0.2859 3.5931
55.306 1.6597 27.7 ( 2 1 2) 27.653 0.3013 3.7857
55.306 1.6597 27.7 ( 1 0 5) 27.653 0.3013 3.7857
60.133 1.5375 3.4 ( 2 1 3) 30.067 0.3252 4.0867
60.370 1.5320 4.2 ( 1 1 5) 30.185 0.3264 4.1012
60.839 1.5213 1.0 ( 0 0 6) 30.420 0.3287 4.1301
61.767 1.5007 5.7 ( 2 0 4) 30.884 0.3332 4.1869
65.638 1.4212 2.7 ( 1 0 6) 32.819 0.3518 4.4209
66.305 1.4086 4.3 ( 2 2 0) 33.152 0.3550 4.4607
66.529 1.4044 4.6 ( 2 1 4) 33.265 0.3560 4.4741
67.193 1.3921 0.6 ( 2 2 1) 33.597 0.3592 4.5135
69.827 1.3459 1.9 ( 2 2 2) 34.913 0.3715 4.6685
69.827 1.3459 1.9 ( 2 0 5) 34.913 0.3715 4.6685
70.261 1.3386 1.7 ( 1 1 6) 35.131 0.3735 4.6938
71.769 1.3142 0.1 ( 3 0 1) 35.884 0.3805 4.7811
72.416 1.3040 0.2 ( 0 0 7) 36.208 0.3834 4.8184
74.328 1.2751 5.0 ( 3 0 2) 37.164 0.3921 4.9275
74.328 1.2751 5.0 ( 2 1 5) 37.164 0.3921 4.9275
75.384 1.2599 4.5 ( 3 1 0) 37.692 0.3969 4.9872
76.226 1.2480 0.4 ( 3 1 1) 38.113 0.4006 5.0345
76.860 1.2393 1.8 ( 1 0 7) 38.430 0.4035 5.0699
78.526 1.2171 0.7 ( 3 0 3) 39.263 0.4108 5.1623
78.734 1.2144 1.0 ( 3 1 2) 39.367 0.4117 5.1738
79.152 1.2091 1.4 ( 2 0 6) 39.576 0.4135 5.1968
79.980 1.1986 2.2 ( 2 2 4) 39.990 0.4171 5.2421
81.224 1.1834 0.4 ( 1 1 7) 40.612 0.4225 5.3096
82.868 1.1640 0.2 ( 3 1 3) 41.434 0.4295 5.3979
83.487 1.1570 2.2 ( 2 1 6) 41.744 0.4322 5.4308
84.306 1.1478 0.7 ( 3 0 4) 42.153 0.4356 5.4742
84.925 1.1410 0.1 ( 0 0 8) 42.462 0.4382 5.5067
87.375 1.1152 0.7 ( 2 2 5) 43.687 0.4484 5.6341
88.599 1.1029 3.8 ( 3 1 4) 44.299 0.4533 5.6968
89.215 1.0969 0.9 ( 3 2 1) 44.608 0.4558 5.7281
89.215 1.0969 0.9 ( 1 0 8) 44.608 0.4558 5.7281
89.826 1.0910 0.5 ( 2 0 7) 44.913 0.4583 5.7590
91.658 1.0739 4.6 ( 3 2 2) 45.829 0.4656 5.8506
91.658 1.0739 4.6 ( 3 0 5) 45.829 0.4656 5.8506
93.501 1.0576 0.3 ( 1 1 8) 46.751 0.4728 5.9413
94.113 1.0523 1.8 ( 2 1 7) 47.056 0.4752 5.9710
95.747 1.0386 0.7 ( 3 2 3) 47.874 0.4814 6.0497
95.954 1.0369 1.5 ( 3 1 5) 47.977 0.4822 6.0595
96.366 1.0336 0.9 ( 2 2 6) 48.183 0.4838 6.0791
98.839 1.0142 0.2 ( 0 0 9) 49.420 0.4930 6.1951
100.699 1.0005 0.7 ( 3 0 6) 50.349 0.4998 6.2804
101.318 0.9960 1.1 ( 4 0 0) 50.659 0.5020 6.3084
101.528 0.9945 0.9 ( 3 2 4) 50.764 0.5028 6.3179
102.157 0.9901 0.5 ( 2 0 8) 51.079 0.5050 6.3461
102.157 0.9901 0.5 ( 4 0 1) 51.079 0.5050 6.3461
103.205 0.9829 0.7 ( 1 0 9) 51.602 0.5087 6.3927
104.669 0.9731 0.1 ( 4 0 2) 52.334 0.5138 6.4569
105.094 0.9703 0.9 ( 3 1 6) 52.547 0.5153 6.4753
106.581 0.9609 1.0 ( 4 1 1) 53.290 0.5204 6.5391
106.581 0.9609 1.0 ( 2 1 8) 53.290 0.5204 6.5391
107.219 0.9569 0.3 ( 2 2 7) 53.609 0.5225 6.5662
107.650 0.9543 0.7 ( 1 1 9) 53.825 0.5240 6.5843
109.147 0.9453 3.0 ( 4 1 2) 54.574 0.5289 6.6467
109.147 0.9453 3.0 ( 3 2 5) 54.574 0.5289 6.6467
110.230 0.9390 0.8 ( 3 3 0) 55.115 0.5325 6.6911
111.102 0.9341 0.1 ( 3 3 1) 55.551 0.5353 6.7264
111.764 0.9304 0.6 ( 3 0 7) 55.882 0.5374 6.7529
113.529 0.9209 0.5 ( 4 1 3) 56.764 0.5429 6.8226
113.751 0.9198 0.2 ( 3 3 2) 56.876 0.5436 6.8313
115.097 0.9128 0.9 ( 4 0 4) 57.548 0.5477 6.8831
115.097 0.9128 0.9 (0,0,10) 57.548 0.5477 6.8831
116.459 0.9061 0.4 ( 3 1 7) 58.229 0.5518 6.9347
116.919 0.9038 0.8 ( 2 0 9) 58.459 0.5532 6.9518
118.293 0.8973 0.1 ( 3 3 3) 59.146 0.5572 7.0025
118.993 0.8940 1.0 ( 3 2 6) 59.496 0.5593 7.0279
119.691 0.8909 1.6 ( 4 2 0) 59.846 0.5613 7.0530
119.928 0.8898 0.8 (1,0,10) 59.964 0.5619 7.0615
119.928 0.8898 0.8 ( 4 1 4) 59.964 0.5619 7.0615
120.641 0.8866 0.5 ( 2 2 8) 60.321 0.5639 7.0868
120.641 0.8866 0.5 ( 4 2 1) 60.321 0.5639 7.0868
121.836 0.8814 1.0 ( 2 1 9) 60.918 0.5673 7.1285
123.527 0.8743 0.5 ( 4 2 2) 61.763 0.5719 7.1862
123.527 0.8743 0.5 ( 4 0 5) 61.763 0.5719 7.1862
125.007 0.8684 1.2 ( 3 3 4) 62.504 0.5758 7.2355
125.007 0.8684 1.2 (1,1,10) 62.504 0.5758 7.2355
125.763 0.8654 0.5 ( 3 0 8) 62.881 0.5777 7.2601
128.573 0.8550 0.1 ( 4 2 3) 64.286 0.5848 7.3491
128.836 0.8540 0.1 ( 4 1 5) 64.418 0.5855 7.3572
131.239 0.8457 0.3 ( 3 1 8) 65.619 0.5912 7.4295
132.056 0.8430 1.0 ( 3 2 7) 66.028 0.5931 7.4533
134.576 0.8350 0.4 ( 3 3 5) 67.288 0.5988 7.5244
135.153 0.8333 0.5 ( 4 0 6) 67.577 0.6000 7.5401
136.320 0.8299 1.9 ( 4 2 4) 68.160 0.6025 7.5714
136.320 0.8299 1.9 (0,0,11) 68.160 0.6025 7.5714
138.746 0.8231 0.5 ( 2 2 9) 69.373 0.6075 7.6339
141.607 0.8156 0.8 ( 4 1 6) 70.803 0.6130 7.7033
142.953 0.8124 0.4 (2,1,10) 71.476 0.6155 7.7343
142.953 0.8124 0.4 (1,0,11) 71.476 0.6155 7.7343
145.747 0.8060 0.5 ( 3 0 9) 72.873 0.6203 7.7951
148.364 0.8006 0.6 ( 4 2 5) 74.182 0.6245 7.8480
149.152 0.7991 0.4 ( 3 3 6) 74.576 0.6257 7.8631 |
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