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*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 |
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