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ting110主管區(qū)長(zhǎng)
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【求助】銦單質(zhì)、氧化銦、氮化銦 具體的晶格結(jié)構(gòu)？不同晶格結(jié)構(gòu)對(duì)晶體形貌的影響 已有3人參與
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最好是用CCDC幫我查一個(gè)銦單質(zhì)、氧化銦、氮化銦 具體的晶格結(jié)構(gòu)，我自己實(shí)在是不會(huì)弄。 還有一個(gè)重要問(wèn)題是：我是做摻雜實(shí)驗(yàn)，請(qǐng)問(wèn)用不同的晶格結(jié)構(gòu)的源，對(duì)合成物的形貌是怎樣影響的呢？（其他條件不變）最好以銦單質(zhì)、氧化銦、氮化銦 為例。 拜托各位了�。。。�  |
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zbdfwq5777
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至尊山羊
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In
★ ★ ★ ★ ★
nash603(金幣+5):謝謝貓哥幫忙！辛苦了！ 2010-10-27 19:30:24
ting110(金幣+5):謝謝您的幫助！我是做晶體合成的，對(duì)晶體結(jié)構(gòu)空間群不大了解，所以弱弱的問(wèn)一句：這個(gè)有中文版本的嗎？好多專(zhuān)業(yè)的詞我不大懂。太不好意思啦！希望你能幫助我��！ 2010-10-28 10:03:48
ting110(金幣+1): 2010-10-28 10:05:32
nash603(金幣+5):謝謝貓哥幫忙！辛苦了！ 2010-10-27 19:30:24
ting110(金幣+5):謝謝您的幫助！我是做晶體合成的，對(duì)晶體結(jié)構(gòu)空間群不大了解，所以弱弱的問(wèn)一句：這個(gè)有中文版本的嗎？好多專(zhuān)業(yè)的詞我不大懂。太不好意思啦！希望你能幫助我��！ 2010-10-28 10:03:48
ting110(金幣+1): 2010-10-28 10:05:32
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*data for ICSD #171679 Coll Code 171679 Rec Date 2006/10/01 Chem Name Indium Structured In Sum In1 ANX N D(calc) 7.29 Title Structure of Ce2 Rh In8: an example of complementary use of high- resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Author(s) Moshopoulou, E.G.;Ibberson, R.M.;Sarrao, J.L.;Thompson, J.D.;Fisk, Z. Reference Acta Crystallographica B (39,1983-) (2006), 62(2), 173-189 Unit Cell 3.25094(17) 3.25094(17) 4.9474(5) 90.0 90.0 90.0 Vol 52.28 Z 2 Space Group I 4/m m m SG Number 139 Cryst Sys tetragonal Pearson tI2 Wyckoff a Red Cell I 3.250 3.250 3.376 118.773 118.773 89.999 26.143 Trans Red 1.000 0.000 0.000 / 0.000 -1.000 0.000 / -0.500 0.500 -0.500 Comments Neutron diffraction (single crystal) Rietveld profile refinement applied Structure type : In Atom # OX SITE x y z SOF H In 1 +0 2 a 0.0 0.0 0.0 1.0 0 *end for ICSD #171679 |
2樓2010-10-27 12:43:02
zbdfwq5777
實(shí)習(xí)版主
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In2O3－I
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*data for ICSD #14388 Coll Code 14388 Rec Date 1980/01/01 Mod Date 2007/04/01 Chem Name Indium Oxide Structured In2 O3 Sum In2 O3 ANX A2X3 D(calc) 7.12 Title Refinement of the crystal structure of In2 O3 at two wavelengths Author(s) Marezio, M. Reference Acta Crystallographica (1,1948-23,1967) (1966), 20, 723-728 Unit Cell 10.117(1) 10.117(1) 10.117(1) 90. 90. 90. Vol 1035.51 Z 16 Space Group I a -3 SG Number 206 Cryst Sys cubic Pearson cI80 Wyckoff e d b R Value .033 Red Cell I 8.761 8.761 8.761 109.471 109.471 109.471 517.756 Trans Red 0.500 0.500 -0.500 / -0.500 0.500 0.500 / 0.500 -0.500 0.500 Comments Mo K-alpha-refinement The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-2195 Structure type : Mn2O3 X-ray diffraction from single crystal Atom # OX SITE x y z SOF H ITF(B) In 1 +3 8 b 0.25 0.25 0.25 1. 0 0.46 In 2 +3 24 d 0.4663(1) 0 0.25 1. 0 0.41 O 1 -2 48 e 0.3912(12) 0.1558(11) 0.3796(13) 1. 0 0.45 *end for ICSD #14388 |
3樓2010-10-27 12:43:41
zbdfwq5777
專(zhuān)家顧問(wèn)
至尊山羊
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In2O3－II
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*data for ICSD #16086 Coll Code 16086 Rec Date 1986/09/23 Mod Date 2000/07/15 Chem Name Indium Oxide - Ii Structured In2 O3 Sum In2 O3 ANX A2X3 D(calc) 7.31 Title The C rare earth oxide-corundum transition and crystal chemistry of oxides having the corundum structure Author(s) Prewitt, C.T.;Shannon, R.D.;Rogers, D.B.;Sleight, W.W. Reference Inorganic Chemistry (1969), 8, 1985-1993 Unit Cell 5.4870(3) 5.4870(3) 14.510(1) 90. 90. 120. Vol 378.33 Z 6 Space Group R -3 c H SG Number 167 Cryst Sys trigonal/rhombohedral Pearson hR10 Wyckoff e c R Value .022 Red Cell RH 5.487 5.487 5.781 61.672 61.672 60 126.109 Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333 Comments Cell of Ga2O3: 4.9791, 13.437; Fe2O3: 5.0351, 13.750 Cell of Ti2O3: 5.1572, 13.600; Tl2O3: 5.7468, 14.851 The structure has been assigned a PDF number (calculated powder diffraction data): 01-072-0683 The structure has been assigned a PDF number (experimental powder diffraction data): 22-336 Structure type : Al2O3 X-ray diffraction (powder) Unusual difference between calculated and measured density Atom # OX SITE x y z SOF H In 1 +3 12 c 0 0 0.35731(2) 1. 0 O 1 -2 18 e 0.2980(5) 0 0.25 1. 0 Lbl Type Beta11 Beta22 Beta33 Beta12 Beta13 Beta23 In1 In3+ 0.36(3) 0.36(3) 0.41(3) 0.18 0 0 O1 O2- 0.05(8) 0.09(9) 0.51(8) 0.05 0.11(6) 0.22 *end for ICSD #16086 [ Last edited by zbdfwq5777 on 2010-10-27 at 12:46 ] |
4樓2010-10-27 12:44:07
zbdfwq5777
超級(jí)版主
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In2O3－III
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*data for ICSD #33649 Coll Code 33649 Rec Date 1984/11/05 Mod Date 2006/04/01 Chem Name Indium Oxide Structured In2 O3 Sum In2 O3 ANX A2X3 D(calc) 7.11 Title Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 Author(s) Zachariasen, W.H. Reference Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse (1928), 1928, 1-165 Norsk Geologisk Tidsskrift (1927), 9, 310-316 Unit Cell 10.12(3) 10.12(3) 10.12(3) 90. 90. 90. Vol 1036.43 Z 16 Space Group I 21 3 SG Number 199 Cryst Sys cubic Pearson cI80 Wyckoff c2 b2 a Red Cell I 8.764 8.764 8.764 109.471 109.471 109.471 518.217 Trans Red 0.500 0.500 -0.500 / -0.500 0.500 0.500 / 0.500 -0.500 0.500 Comments Cf. 50846 in Ia3- The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-6440 The structure has been assigned a PDF number (experimental powder diffraction data): 44-1087 Structure type : Sm2O3(cI80) 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 In 1 +3 8 a 0.25 0.25 0.25 1. 0 In 2 +3 12 b 0.021(7) 0 0.25 1. 0 In 3 +3 12 b 0.542(14) 0 0.25 1. 0 O 1 -2 24 c 0.125 0.125 0.375 1. 0 O 2 -2 24 c 0.125 0.375 0.375 1. 0 *end for ICSD #33649 [ Last edited by zbdfwq5777 on 2010-10-27 at 12:46 ] |
5樓2010-10-27 12:44:29
zbdfwq5777
主管區(qū)長(zhǎng)
至尊山羊
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InN－I
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*data for ICSD #157515 Coll Code 157515 Rec Date 2008/02/01 Chem Name Indium Nitride - Wurtzite-type Structured In N Sum In1 N1 ANX AX D(calc) 6.99 Title Structural phase transformations of Ga N and In N under high pressure Author(s) Saib, S.;Bouarissa, N. Reference Physica B: Condensed Matter (Amsterdam, 152, 1988-) (2007), 387, 377-382 Unit Cell 3.52 3.52 5.7024 90. 90. 120. Vol 61.19 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 Red Cell P 3.52 3.52 5.702 90 90 120 61.189 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Undergoes a transition to the rocksalt structure at 10.86 GPa (calculated) Calculations with local density approximation (LDA) Calculation with generalized gradient approximation: a=3.58,c=5.7838; z(N)=0.3790; transition pressure = 12.47 GPa Structure calculated theoretically Structure type : ZnS(2H) X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H In 1 +3 2 b 0.3333 0.6667 0. 1. 0 N 1 -3 2 b 0.3333 0.6667 0.3788 1. 0 *end for ICSD #157515 |
6樓2010-10-27 12:45:34
zbdfwq5777
兌換貴賓
至尊山羊
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InN－II
|
*data for ICSD #157516 Coll Code 157516 Rec Date 2008/02/01 Chem Name Indium Nitride - Nacl-type, Hp Structured In N Sum In1 N1 ANX AX D(calc) 8.62 Title Structural phase transformations of Ga N and In N under high pressure Author(s) Saib, S.;Bouarissa, N. Reference Physica B: Condensed Matter (Amsterdam, 152, 1988-) (2007), 387, 377-382 Unit Cell 4.63 4.63 4.63 90. 90. 90. Vol 99.25 Z 4 Space Group F m -3 m SG Number 225 Cryst Sys cubic Pearson cF8 Wyckoff b a Red Cell F 3.273 3.273 3.273 60 60 60 24.813 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Stable above 9.42 GPa (calculated) Calculations with local density approximation (LDA) Calculation with generalized gradient approximation: a=4.71; stable above 11.84 GPa Structure calculated theoretically Structure type : NaCl X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H In 1 +3 4 a 0. 0. 0. 1. 0 N 1 -3 4 b 0.5 0.5 0.5 1. 0 *end for ICSD #157516 |
7樓2010-10-27 12:45:53
zbdfwq5777
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至尊山羊
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InN-III
ting110(金幣+9):謝貓哥幫忙啦 2010-11-02 09:04:33
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*data for ICSD #41547 Coll Code 41547 Rec Date 1999/11/30 Mod Date 2006/04/01 Chem Name Indium Nitride Structured In N Sum In1 N1 ANX AX D(calc) 7.13 Title Consistent structural properties of Al N, Ga N, and In N Author(s) Wright, A.F.;Nelson, J.S. Reference Physical Review, Serie 3. B - Condensed Matter (18,1978-) (1995), 51, 7866-7869 Unit Cell 4.932 4.932 4.932 90. 90. 90. Vol 119.97 Z 4 Space Group F -4 3 m SG Number 216 Cryst Sys cubic Pearson cF8 Wyckoff c a Red Cell F 3.487 3.487 3.487 60 60 60 29.992 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): 01-088-2365 Structure calculated theoretically Structure type : ZnS(cF8) X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H In 1 +3 4 c 0.25 0.25 0.25 1. 0 N 1 -3 4 a 0 0 0 1. 0 *end for ICSD #41547 |
8樓2010-10-27 12:47:05
ting110
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9樓2010-11-02 09:03:49
zbdfwq5777
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ZnO-I
★
小木蟲(chóng)(金幣+0.5):給個(gè)紅包，謝謝回帖交流
小木蟲(chóng)(金幣+0.5):給個(gè)紅包，謝謝回帖交流
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*data for ICSD #157724 Coll Code 157724 Rec Date 2008/02/01 Chem Name Zinc Oxide Structured Zn O Sum O1 Zn1 ANX AX Min Name Zincite D(calc) 5.67 Title Synchrotron X-ray study of polycrystalline wurtzite Zn1-x Mgx O (0 <= x <= 0.15): evolution of crystal structure and polarization Author(s) Kim Young-Il;Page, K.;Seshadri, R. Reference Applied Physics Letters (2007), 90, 101904-1-101904-3 Unit Cell 3.25030(9) 3.25030(9) 5.2072(2) 90. 90. 120. Vol 47.64 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 R Value .04 Red Cell P 3.250 3.250 5.207 90 90 119.999 47.641 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Compound with mineral name: Zincite Rietveld profile refinement applied Synchrotron radiation (powder) Structure type : ZnS(2H) Atom # OX SITE x y z SOF H Zn 1 +2 2 b 0.3333 0.6667 0. 1. 0 O 1 -2 2 b 0.3333 0.6667 0.3829(4) 1. 0 *end for ICSD #157724 |
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