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【求助】求ZnO的cif文件
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求ZnO的cif文件 yeliquny@163.com |
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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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*data for ICSD #155780 Coll Code 155780 Rec Date 2007/08/01 Chem Name Zinc Oxide Structured Zn O Sum O1 Zn1 ANX AX D(calc) 5.66 Title The relationships between microstructure and crystal structure in zincite solid solutions Author(s) Yamashita, A.;Hansson, R.;Hayes, P.C. Reference Journal of Materials Science (2006), 41, 5559-5568 Unit Cell 3.25254 3.25254 5.21108 90. 90. 120. Vol 47.74 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 Red Cell P 3.252 3.252 5.211 90 90 120 47.741 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Rietveld profile refinement applied Structure type : ZnS(2H) X-ray diffraction (powder) No R value given in the paper. Atom # OX SITE x y z SOF H O 1 -2 2 b 0.3333 0.6667 0.375 1. 0 Zn 1 +2 2 b 0.6667 0.3333 0.5 1. 0 *end for ICSD #155780 |
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