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查到了几个，你看是否有用： *data for ICSD #31169 Coll Code 31169 Rec Date 1980/01/01 Mod Date 2002/04/01 Chem Name Aluminium Nitride Structured Al N Sum Al1 N1 ANX AX D(calc) 3.26 Title Das Gitter des Aluminiumnitrids (Al N). Author(s) Ott, H. Reference Zeitschrift fuer Physik (1924), 22, 201-214 Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre (1935), 175, 127-139 Unit Cell 3.113 3.113 4.981 90. 90. 120. Vol 41.8 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 Red Cell P 3.113 3.113 4.981 90 90 120 41.803 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Cell from 2nd reference: 3.110(5), 4.975(8) The structure has been assigned a PDF number: 25-1133 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 Al 1 +3 2 b 0.3333 0.6667 0 1. 0 N 1 -3 2 b 0.3333 0.6667 0.38 1. 0 *end for ICSD #31169 *data for ICSD #34235 Coll Code 34235 Rec Date 1986/08/04 Mod Date 1986/08/04 Chem Name Aluminium Nitride Structured Al N Sum Al1 N1 ANX AX D(calc) 3.26 Title Study of the Wurtzite-type binary compounds. I. Structures of aluminum nitride and beryllium oxide Author(s) Jeffrey, G.A.;Parry, G.S.;Mozzi, R.L. Reference Journal of Chemical Physics (1956), 25, 1024-1031 Unit Cell 3.111 3.111 4.978 90. 90. 120. Vol 41.72 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 R Value .058 Red Cell P 3.111 3.111 4.978 90 90 120 41.724 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments determined by the fourier analysis method X-ray diffraction (powder) Atom # OX SITE x y z SOF H ITF(B) Al 1 +3 2 b 0.3333 0.6667 0 1. 0 0.26 N 1 -3 2 b 0.3333 0.6667 0.385 1. 0 0.26 *end for ICSD #34235 *data for ICSD #34236 Coll Code 34236 Rec Date 1980/01/01 Mod Date 2000/12/16 Chem Name Aluminium Nitride Structured Al N Sum Al1 N1 ANX AX D(calc) 3.26 Title Study of the Wurtzite-type binary compounds. I. Structures of aluminum nitride and beryllium oxide Author(s) Jeffrey, G.A.;Parry, G.S.;Mozzi, R.L. Reference Journal of Chemical Physics (1956), 25, 1024-1031 Journal of Chemical Physics (1955), 23, 406-406 Unit Cell 3.111 3.111 4.978 90. 90. 120. Vol 41.72 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 R Value .058 Red Cell P 3.111 3.111 4.978 90 90 120 41.724 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments z(N) in 2nd reference: .385, R=0.026 The structure has been assigned a PDF number: 25-1133 X-ray diffraction (powder) Atom # OX SITE x y z SOF H ITF(B) Al 1 +3 2 b 0.3333 0.6667 0 1. 0 0.26 N 1 -3 2 b 0.3333 0.6667 0.388 1. 0 0.79 *end for ICSD #34236 *data for ICSD #34475 Coll Code 34475 Rec Date 1980/01/01 Mod Date 1984/11/02 Chem Name Aluminium Nitride Structured Al N Sum Al1 N1 ANX AX D(calc) 3.26 Title Crystal structure refinement of Al N and Ga N Author(s) Schulz, H.;Thiemann, K.H. Reference Solid State Communications (1977), 23, 815-819 Unit Cell 3.110(1) 3.110(1) 4.980(1) 90. 90. 120. Vol 41.71 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 R Value .015 Red Cell P 3.11 3.11 4.98 90 90 120 41.714 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Atom # OX SITE x y z SOF H Al 1 +3 2 b -.3333 -.6667 0 1. 0 N 1 -3 2 b -.3333 -.6667 0.3821(3) 1. 0 Lbl Type U11 U22 U33 U12 U13 U23 Al1 Al3+ 0.0037(2) 0.0037(2) 0.0040(2) 0.0019(1) 0 0 N1 N3- 0.0044(2) 0.0044(2) 0.0046(4) 0.0022(1) 0 0 *end for ICSD #34475 *data for ICSD #41542 Coll Code 41542 Rec Date 1999/11/30 Chem Name Aluminium Nitride Structured Al N Sum Al1 N1 ANX AX D(calc) 3.34 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 3.084 3.084 4.948 90. 90. 120. Vol 40.76 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 Red Cell P 3.084 3.084 4.948 90 90 120 40.756 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Wurtzite type The structure has been assigned a PDF number: 25-1133 Structure calculated theoretically No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Al 1 +3 2 b 0.3333 0.6667 0 1. 0 N 1 -3 2 b 0.3333 0.6667 0.3814 1. 0 *end for ICSD #41542 |
5楼2007-04-19 10:52:55
2楼2007-04-12 13:44:51
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查到了几个，你看是否有用： *data for ICSD #31169 Coll Code 31169 Rec Date 1980/01/01 Mod Date 2002/04/01 Chem Name Aluminium Nitride Structured Al N Sum Al1 N1 ANX AX D(calc) 3.26 Title Das Gitter des Aluminiumnitrids (Al N). Author(s) Ott, H. Reference Zeitschrift fuer Physik (1924), 22, 201-214 Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre (1935), 175, 127-139 Unit Cell 3.113 3.113 4.981 90. 90. 120. Vol 41.8 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 Red Cell P 3.113 3.113 4.981 90 90 120 41.803 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Cell from 2nd reference: 3.110(5), 4.975(8) The structure has been assigned a PDF number: 25-1133 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 Al 1 +3 2 b 0.3333 0.6667 0 1. 0 N 1 -3 2 b 0.3333 0.6667 0.38 1. 0 *end for ICSD #31169 *data for ICSD #34235 Coll Code 34235 Rec Date 1986/08/04 Mod Date 1986/08/04 Chem Name Aluminium Nitride Structured Al N Sum Al1 N1 ANX AX D(calc) 3.26 Title Study of the Wurtzite-type binary compounds. I. Structures of aluminum nitride and beryllium oxide Author(s) Jeffrey, G.A.;Parry, G.S.;Mozzi, R.L. Reference Journal of Chemical Physics (1956), 25, 1024-1031 Unit Cell 3.111 3.111 4.978 90. 90. 120. Vol 41.72 Z 2 Space Group P 63 m c SG Number 186 Cryst Sys hexagonal Pearson hP4 Wyckoff b2 R Value .058 Red Cell P 3.111 3.111 4.978 90 90 120 41.724 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments determined by the fourier analysis method X-ray diffraction (powder) Atom # OX SITE x y z SOF H ITF(B) Al 1 +3 2 b 0.3333 0.6667 0 1. 0 0.26 N 1 -3 2 b 0.3 |
4楼2007-04-19 10:52:13
