求JCPDS10-0445数据 - 晶体 - 测试表征 - 小木虫论坛-学术科研互动平台

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PDF#06-0249: QM=Indexed; d=(Unknown); I=Diffractometer
Bismoclite, syn
Bi O Cl (Yellowish white, grayish brown, yellowish brown)
Radiation=CuKa1 Lambda=1.5405 Filter=Ni
Calibration= d-Cutoff= I/Ic(RIR)=
Ref= Swanson et al.
Natl. Bur. Stand. (U.S.), Circ. 539, 4 54 (1955)
Tetragonal - Powder Diffraction,  P4/nmm (129) Z=2 mp=
Cell=3.891x7.369 Pearson=tP6 (Cl F Pb)
Density(c)=7.752 Density(m)=7.717 Mwt=260.43 Vol=111.57 F(30)=34.0(0.025,35)
Ref= Ibid.

Strong Line: 3.44/X 2.68/X 2.75/8 7.38/4 1.95/4 2.21/3 1.57/3 1.83/3 1.69/3 1.67/2
NOTE:  Sample from Fisher Scientific Company, Fair Lawn, New Jersey, USA.
Spectroscopic analysis: <0.01% Pb, Si; <0.001% Al, Ca, Fe, Mg; <0.0001% Ag, Ba.
Pattern taken at 26 C.
d(A)    I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
7.3800 40.0 15.0 0 0 1      11.982 5.991 0.0678 0.8514
3.6900 16.0 12.0 0 0 2      24.098 12.049 0.1355 1.7028
3.4420 100.0 82.0 1 0 1      25.863 12.932 0.1453 1.8254
2.7530 75.0 77.0 1 1 0      32.496 16.248 0.1816 2.2823
2.6770 95.0 100.0 1 0 2      33.445 16.723 0.1868 2.3471
2.5770 10.0 11.0 1 1 1      34.784 17.392 0.1940 2.4382
2.4570 12.0 14.0 0 0 3      36.541 18.271 0.2035 2.5573
2.2050 30.0 38.0 1 1 2      40.893 20.447 0.2268 2.8495
2.0760 2.0 3.0 1 0 3      43.560 21.780 0.2408 3.0266
1.9460 35.0 51.0 2 0 0      46.635 23.318 0.2569 3.2288
1.8810 10.0 15.0 2 0 1      48.348 24.174 0.2658 3.3403
1.8330 25.0 38.0 1 1 3      49.698 24.849 0.2728 3.4278
1.7200 8.0 13.0 2 0 2      53.210 26.605 0.2907 3.6530
1.6940 25.0 42.0 2 1 1      54.093 27.046 0.2952 3.7091
1.6650 18.0 30.0 1 0 4      55.114 27.557 0.3003 3.7737
1.5740 30.0 54.0 2 1 2      58.599 29.300 0.3177 3.9919
1.5280 12.0 22.0 1 1 4      60.545 30.272 0.3272 4.1120
1.4730 2.0 4.0 0 0 5      63.058 31.529 0.3394 4.2656
1.3760 12.0 25.0 2 2 0      68.083 34.042 0.3634 4.5663
1.3520 4.0 8.0 2 2 1      69.463 34.732 0.3698 4.6473
1.3380 2.0 4.0 2 0 4      70.297 35.148 0.3737 4.6960
1.2990 4.0 9.0 1 1 5      72.737 36.369 0.3849 4.8369
1.2890 4.0 9.0 2 2 2      73.393 36.697 0.3879 4.8745
1.2780 6.0 13.0 3 0 1      74.130 37.065 0.3912 4.9164
1.2660 14.0 31.0 2 1 4      74.953 37.476 0.3949 4.9630
1.2310 8.0 18.0 3 1 0      77.472 38.736 0.4062 5.1041
1.2240 8.0 18.0 3 0 2      77.999 39.000 0.4085 5.1333
1.2140 2.0 5.0 3 1 1      78.765 39.383 0.4119 5.1756
1.2000 6.0 14.0 2 2 3      79.867 39.934 0.4167 5.2360
1.1745 4.0 10.0 2 0 5      81.966 40.983 0.4257 5.3497
1.1672 6.0 14.0 3 1 2      82.590 41.295 0.4284 5.3831
1.1246 6.0 15.0 2 1 5      86.461 43.231 0.4446 5.5870
1.1218 8.0 20.0 1 1 6      86.730 43.365 0.4457 5.6010
1.1001 10.0 26.0 3 1 3      88.885 44.442 0.4545 5.7115
1.0678 8.0 21.0 3 2 1      92.336 46.168 0.4683 5.8842
1.0606 4.0 11.0 3 0 4      93.149 46.574 0.4714 5.9242
1.0384 6.0 16.0 2 0 6      95.769 47.885 0.4815 6.0508
1.0358 12.0 33.0 3 2 2      96.088 48.044 0.4827 6.0660

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PDF#10-0445: QM=Star(S); d=(Unknown); I=Diffractometer
Bismuth Oxide Iodide
Bi O I Dark red-orange
Radiation=CuKa1 Lambda=1.5405 Filter=Ni
Calibration= 2T=9.658-87.089 I/Ic(RIR)=
Ref: Natl. Bur. Stand. (U.S.), Circ. 539, v9 p16 (1960)

Tetragonal - Powder Diffraction,  P4/nmm (129) Z=2 mp=
CELL: 3.994 x 3.994 x 9.149 <90.0 x 90.0 x 90.0> P.S=tP6 (Lead fluorochloride, Cl F Pb)
Density(c)=8.006 Density(m)=7.17A Mwt=351.88 Vol=145.95 F(30)=68.0(.0110,40/0)
Ref: Ibid.

Strong Lines: 3.01/X 2.82/6 1.66/3 2.00/3 9.15/2 1.78/2 2.42/1 1.99/1 2.29/1 4.58/1
NOTE:  Sample prepared at NBS, Gaithersburg, Maryland, USA, by reacting Bi2 O3 with concentrated HI.
Pattern was improved by heating the material in air for two hours at 450 C.
Spectrographic analysis showed <0.1% Ni; <0.01% Al, Co, Fe, Si.
Pattern taken at 25 C.
Plus 19 additional reflections to 0.9414.
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
9.658 9.1500 20.0 ( 0 0 1) 4.829 0.0546 0.6867
19.364 4.5800 8.0 ( 0 0 2) 9.682 0.1092 1.3719
24.292 3.6610 4.0 ( 1 0 1) 12.146 0.1366 1.7162
29.645 3.0110 100.0 ( 1 0 2) 14.822 0.1661 2.0867
31.657 2.8240 55.0 ( 1 1 0) 15.829 0.1771 2.2249
33.165 2.6990 4.0 ( 1 1 1) 16.582 0.1853 2.3280
37.057 2.4240 12.0 ( 1 0 3) 18.528 0.2063 2.5921
37.392 2.4030 8.0 ( 1 1 2) 18.696 0.2081 2.6147
39.365 2.2870 10.0 ( 0 0 4) 19.683 0.2186 2.7473
43.648 2.0720 4.0 ( 1 1 3) 21.824 0.2413 3.0324
45.377 1.9970 25.0 ( 2 0 0) 22.688 0.2504 3.1463
45.666 1.9850 12.0 ( 1 0 4) 22.833 0.2519 3.1653
46.483 1.9520 4.0 ( 2 0 1) 23.242 0.2561 3.2188
49.814 1.8290 4.0 ( 0 0 5) 24.907 0.2734 3.4353
51.345 1.7780 16.0 ( 1 1 4) 25.673 0.2812 3.5339
55.150 1.6640 30.0 ( 2 1 2) 27.575 0.3005 3.7760
59.981 1.5410 8.0 ( 2 1 3) 29.991 0.3245 4.0773
60.201 1.5359 4.0 ( 1 1 5) 30.100 0.3255 4.0909
60.694 1.5246 4.0 ( 0 0 6) 30.347 0.3280 4.1212
61.592 1.5045 8.0 ( 2 0 4) 30.796 0.3323 4.1763
65.473 1.4244 6.0 ( 1 0 6) 32.736 0.3510 4.4111
66.121 1.4120 8.0 ( 2 2 0) 33.060 0.3541 4.4498
66.344 1.4078 6.0 ( 2 1 4) 33.172 0.3552 4.4631
66.994 1.3957 <1 ( 2 2 1) 33.497 0.3582 4.5018
69.611 1.3495 6.0 ( 2 2 2) 34.805 0.3705 4.6559
70.044 1.3422 6.0 ( 1 1 6) 35.022 0.3725 4.6813
72.203 1.3073 2.0 ( 0 0 7) 36.101 0.3825 4.8062
74.090 1.2786 4.0 ( 3 0 2) 37.045 0.3911 4.9141
75.134 1.2634 4.0 ( 3 1 0) 37.567 0.3958 4.9732
76.631 1.2424 4.0 ( 1 0 7) 38.316 0.4024 5.0573
78.304 1.2200 <1 ( 3 0 3) 39.152 0.4098 5.1502
78.488 1.2176 4.0 ( 3 1 2) 39.244 0.4106 5.1603
78.913 1.2121 <1 ( 2 0 6) 39.456 0.4125 5.1837
79.732 1.2017 4.0 ( 2 2 4) 39.866 0.4161 5.2286
81.004 1.1860 2.0 ( 1 1 7) 40.502 0.4216 5.2978
83.243 1.1597 2.0 ( 2 1 6) 41.621 0.4311 5.4179
84.087 1.1502 <1 ( 3 0 4) 42.043 0.4347 5.4627
84.684 1.1436 <1 ( 0 0 8) 42.342 0.4372 5.4942
87.089 1.1181 <1 ( 2 2 5) 43.545 0.4472 5.6195

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PDF#73-2062: QM=Calculated; d=Calculated; I=Calculated
Bismuth Oxide Iodide
Bi O I
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= d-Cutoff=17.7 I/Ic(RIR)=8.86
Ref= Calculated from ICSD using POWD-12++ (1997)

Tetragonal - (Unknown),  P4/nmm (129) Z=2 mp=
Cell=3.984x9.128 Pearson=tP6 (?)
Density(c)=8.064 Density(m)=7.17A Mwt=351.88 Vol=144.88 F(30)=326.4(.0025,37)
Ref= Sillen, L.G.
Sven. Kem. Tidskr., 53 39 (1941)
Strong Line: 3.00/X 2.82/4 9.13/4 1.66/3 1.99/2 1.77/1 2.42/1 2.28/1 1.98/1 1.50/1
FIZ=024610: ICSD SG: P4/NMMS1    IT  is: 129 SG short form: P4/nmm No R value given.
At least one TF missing.
X-ray studies on Bi O Cl, Bi O Br and Bi O I c2 a (P4/NMMS1) AXY
d(A)    I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
9.1280 37.0 12.2 0 0 1      9.681 4.841 0.0548 0.6883
4.5640 3.7 2.4 0 0 2      19.433 9.716 0.1096 1.3767
3.6517 2.1 1.7 0 1 1      24.355 12.177 0.1369 1.7206
3.0015 100.0 100.0 0 1 2      29.740 14.870 0.1666 2.0933
2.8173 41.9 44.6 1 1 0      31.735 15.868 0.1775 2.2303
2.6920 2.2 2.5 1 1 1      33.254 16.627 0.1857 2.3341
2.4182 8.5 10.6 0 1 3      37.149 18.574 0.2068 2.5983
2.3973 5.4 6.8 1 1 2      37.484 18.742 0.2086 2.6209
2.2820 6.5 8.5 0 0 4      39.455 19.727 0.2191 2.7534
2.0672 0.7 1.0 1 1 3      43.755 21.877 0.2419 3.0395
1.9922 16.5 24.9 0 2 0      45.492 22.746 0.2510 3.1539
1.9802 6.5 9.9 0 1 4      45.783 22.891 0.2525 3.1730
1.9464 2.1 3.2 0 2 1      46.626 23.313 0.2569 3.2281
1.8256 2.3 3.8 0 0 5      49.913 24.957 0.2739 3.4417
1.8256 2.3 3.8 2 0 2      49.913 24.957 0.2739 3.4417
1.7732 13.5 22.9 1 1 4      51.493 25.746 0.2820 3.5433
1.7488 0.6 1.0 1 2 1      52.266 26.133 0.2859 3.5928
1.6598 27.6 49.9 1 2 2      55.300 27.650 0.3012 3.7854
1.5376 3.4 6.6 1 2 3      60.128 30.064 0.3252 4.0864
1.5321 4.1 8.0 1 1 5      60.367 30.184 0.3264 4.1011
1.5213 1.0 2.0 0 0 6      60.838 30.419 0.3287 4.1301
1.5008 5.6 11.2 0 2 4      61.762 30.881 0.3332 4.1866
1.4213 2.7 5.7 0 1 6      65.636 32.818 0.3518 4.4209
1.4086 4.3 9.2 2 2 0      66.299 33.150 0.3550 4.4605
1.4044 4.6 9.8 1 2 4      66.524 33.262 0.3560 4.4739
1.3922 0.6 1.3 2 2 1      67.188 33.594 0.3592 4.5133
1.3459 1.9 4.2 0 2 5      69.821 34.911 0.3715 4.6683
1.3386 1.7 3.8 1 1 6      70.259 35.129 0.3735 4.6937
1.3143 0.1 0.2 0 3 1      71.759 35.879 0.3804 4.7807
1.3040 0.2 0.5 0 0 7      72.414 36.207 0.3834 4.8184
1.2752 4.9 11.5 0 3 2      74.318 37.159 0.3921 4.9271
1.2600 4.5 10.7 1 3 0      75.374 37.687 0.3968 4.9868
1.2481 0.4 1.0 1 3 1      76.216 38.108 0.4006 5.0341
1.2393 1.8 4.4 0 1 7      76.857 38.428 0.4034 5.0699
1.2172 0.7 1.7 0 3 3      78.517 39.258 0.4108 5.1619
1.2145 1.0 2.5 1 3 2      78.724 39.362 0.4117 5.1733
1.2091 1.4 3.5 0 2 6      79.147 39.574 0.4135 5.1966
1.1987 2.2 5.5 2 2 4      79.975 39.987 0.4171 5.2418
1.1834 0.4 1.0 1 1 7      81.221 40.611 0.4225 5.3095
1.1641 0.2 0.5 1 3 3      82.859 41.429 0.4295 5.3975
1.1570 2.2 5.7 1 2 6      83.482 41.741 0.4322 5.4306
1.1479 0.7 1.8 0 3 4      84.296 42.148 0.4356 5.4737
1.1410 0.1 0.3 0 0 8      84.923 42.461 0.4382 5.5067
1.1152 0.7 1.9 2 2 5      87.369 43.684 0.4483 5.6339
1.1030 3.7 10.1 1 3 4      88.589 44.294 0.4533 5.6964
1.0969 0.9 2.5 0 1 8      89.212 44.606 0.4558 5.7281
1.0911 0.5 1.4 0 2 7      89.820 44.910 0.4583 5.7588

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