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yubiqing1234金虫 (小有名气)
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[求助]
XRD衍射峰
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| 求助各位高手，谁能帮我找下五氧化锑的XRD图，最好是文献，非常感谢各位的帮忙，在线等！ |
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gyliu
铁杆木虫 (职业作家)
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【答案】应助回帖
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感谢参与，应助指数 +1
lijunjie84: 金币+1 2012-05-24 10:14:10
lijunjie84: , 辛苦了！ 2012-05-24 10:14:17
感谢参与，应助指数 +1
lijunjie84: 金币+1 2012-05-24 10:14:10
lijunjie84: , 辛苦了！ 2012-05-24 10:14:17
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*data for ICSD #8050 Coll Code 8050 Rec Date 1980/01/01 Mod Date 1984/11/30 Chem Name Antimony(V) Oxide - Prepared By High Oxygen Pressure Synthesis Structured Sb2 O5 Sum O5 Sb2 ANX A2X5 D(calc) 6.75 Title Die Kristallstruktur von Antimon(V)-oxid Author(s) Jansen, M. Reference Acta Crystallographica B (24,1968-38,1982) (1979), 35, 539-542 Unit Cell 12.646(1) 4.7820(4) 5.4247(5) 90. 103.91(1) 90. Vol 318.43 Z 4 Space Group C 1 2/c 1 SG Number 15 Cryst Sys monoclinic Pearson mS28 Wyckoff f3 e R Value .033 Red Cell C 4.782 5.424 6.759 102.994 110.713 89.999 159.214 Trans Red 0.000 1.000 0.000 / 0.000 0.000 -1.000 / -0.500 -0.500 0.000 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-0587 Structure type : Sb2O5 X-ray diffraction from single crystal Atom # OX SITE x y z SOF H ITF(B) Sb 1 +5 8 f 0.13784(2) 0.24090(4) 0.27977(5) 1. 0 0.553 O 1 -2 8 f 0.2971(3) 0.0799(6) 0.3752(6) 1. 0 0.73 O 2 -2 8 f 0.3971(3) 0.4147(7) 0.0510(6) 1. 0 0.76 O 3 -2 4 e 0 0.4194(9) 0.25 1. 0 0.75 *end for ICSD #8050 |
2楼2012-05-24 09:08:19
gyliu
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【答案】应助回帖
★ ★ ★ ★ ★ ★
lijunjie84: 金币+1 2012-05-24 10:14:48
lijunjie84: , 辛苦了！感谢应助！ 2012-05-24 10:15:20
yubiqing1234: 金币+5, 谢谢你的帮忙，金币都给你吧！ 2012-05-24 19:58:24
lijunjie84: 金币+1 2012-05-24 10:14:48
lijunjie84: , 辛苦了！感谢应助！ 2012-05-24 10:15:20
yubiqing1234: 金币+5, 谢谢你的帮忙，金币都给你吧！ 2012-05-24 19:58:24
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*data for ICSD #31104 Coll Code 31104 Rec Date 1980/01/01 Mod Date 1985/05/29 Chem Name Antimony(V) Oxide Structured Sb2 O5 Sum O5 Sb2 ANX A2X5 D(calc) 8.05 Title Ueber die Kristallstruktur der Antimonoxyde. Author(s) Dehlinger, U. Reference Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) (1927), 66, 108-119 Unit Cell 10.22 10.22 10.22 90. 90. 90. Vol 1067.46 Z 16 Space Group F d -3 m S SG Number 227 Cryst Sys cubic Pearson cF112 Wyckoff f e d c Red Cell F 7.226 7.226 7.226 60 60 60 266.866 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-075-1567 X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Sb 1 +5 32 e -.115 -.115 -.115 1. 0 O 1 -2 48 f 0.23 0 0 1. 0 O 2 -2 16 c 0.125 0.125 0.125 1. 0 O 3 -2 16 d 0.625 0.625 0.625 1. 0 *end for ICSD #31104 |
3楼2012-05-24 09:08:55
gyliu
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【答案】应助回帖
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lijunjie84: 金币+1 2012-05-24 10:15:25
lijunjie84: 金币+1 2012-05-24 10:15:25
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PDF#33-0110: QM=Blank(B); d=Guinier; I=Film/Visual Antimony Oxide Sb2 O5 Yellow Radiation=CuKa1 Lambda=1.54051 Filter= Calibration= 2T=24.921-55.585 I/Ic(RIR)= Ref: Rumpel, H. et al. Z. Naturforsch., B: Anorg. Chem., Org. Chem., v33 p39 (1978) Monoclinic - (Unknown), C*/c (15) Z=4 mp= CELL: 12.74 x 4.79 x 5.45 <90.0 x 105.05 x 90.0> P.S=mC28 (Nb2 O5) Density(c)=6.690 Density(m)=6.700 Mwt=323.50 Vol=321.18 F(13)=3.2(0.107,38/0) Ref: Ibid. Strong Lines: 3.57/X 2.93/9 1.68/9 3.08/8 2.49/7 3.27/6 1.88/6 2.64/5 1.77/5 2.39/4 NOTE: Preparation: single-crystals of Sb2 O5 were grown from 2g. Sb2 O3 in 13 days, at 930 C and 500 bar O2 atmosphere and in presence of 3ml. H2 O. Chemical analysis (%): O 24.85, Sb 75.3. $GA-quartz standard. 2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2 24.921 3.5700 55.0 ( 1 1-1) 12.460 0.1401 1.7600 27.249 3.2700 36.0 ( 1 1 1) 13.625 0.1529 1.9215 28.966 3.0800 51.0 ( 4 0 0) 14.483 0.1623 2.0400 30.526 2.9260 61.0 ( 3 1-1) 15.263 0.1709 2.1474 33.968 2.6370 37.0 ( 0 0 2) 16.984 0.1896 2.3827 36.115 2.4850 56.0 ( 3 1 1) 18.058 0.2012 2.5284 37.587 2.3910 33.0 ( 0 2 0) 18.793 0.2091 2.6278 41.127 2.1930 32.0 ( 5 1 0) 20.563 0.2280 2.8651 41.304 2.1840 27.0 ( 1 1 2) 20.652 0.2289 2.8769 41.304 2.1840 27.0 ( 0 2 1) 20.652 0.2289 2.8769 48.266 1.8840 58.0 ( 4 2-1) 24.133 0.2654 3.3350 48.266 1.8840 58.0 ( 4 2 0) 24.133 0.2654 3.3350 51.594 1.7700 50.0 ( 0 2 2) 25.797 0.2825 3.5498 54.546 1.6810 100.0 ( 3 1-3) 27.273 0.2974 3.7378 55.585 1.6520 48.0 ( 7 1 0) 27.793 0.3027 3.8034 |
4楼2012-05-24 09:10:07
gyliu
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5楼2012-05-24 09:12:25
yubiqing1234
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6楼2012-05-24 19:57:59
