Al4C3 晶格参数
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1. *data for ICSD #14397
Coll Code 14397
Rec Date 1980/01/01
Mod Date 2005/10/01
Chem Name Aluminium Carbide (4/3)
Structured Al4 C3
Sum C3 Al4
ANX N3O4
D(calc) 3
Title The structures of the aluminum carbonitrides. II
Author(s) Jeffrey, G.A.;Wu, V.Y.
Reference Acta Crystallographica (1,1948-23,1967)
(1966), 20, 538-547
Unit Cell 8.52 8.52 8.52 22.54 22.54 22.54
V ol 79.72
Z 1
Space Group R 3 m R
SG Number 160
Cryst Sys trigonal/rhombohedral
Pearson hR7
Wyckoff a7
R Value .12
Red Cell RR 3.330 3.330 8.52 78.73 78.73 59.999 79.718
Trans Red -1.000 0.000 1.000 / 0.000 -1.000 1.000 / 0.000 0.000 1.000
Comments The structure is centrosymmetric, cf. 66751
Hexagonal setting: 3.33, 24.90
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-071-2204
The structure has been assigned a PDF number (experimental
powder diffraction data): 35-799
X-ray diffraction from single crystal
Atom # OX SITE x y z SOF H ITF(B) Al 1 +0 1 a 0.705(1) 0.705(1) 0.705(1) 1. 0 0.2 Al 2 +0 1 a 0.129(1) 0.129(1) 0.129(1) 1. 0 0.5 Al 3 +0 1 a 0.869(1) 0.869(1) 0.869(1) 1. 0 0.5 Al 4 +0 1 a 0.296(1) 0.296(1) 0.296(1) 1. 0 0.2
C 1 +0 1 a 0 0 0.000(2) 1. 0 0.7
C 2 +0 1 a 0.781(2) 0.781(2) 0.781(2) 1. 0 0.7 C 3 +0 1 a 0.217(2) 0.217(2) 0.217(2) 1. 0 1.2 *end for ICS
D #14397
2. *data for ICSD #52287
Coll Code 52287
Rec Date 2003/04/01
Mod Date 2006/04/01
Chem Name Aluminium Carbide
Structured Al4 C3
Sum C3 Al4
ANX A4X3
D(calc) 2.99
Title Die Struktur des Aluminiumcarbids
Author(s) von Stackelberg, M.;Schnorrenberg, E.
Reference Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie
(1934), 27, 37-49
Unit Cell 3.331 3.331 24.99 90. 90. 120.
V ol 240.13
Z 3
Space Group R -3 m H
SG Number 166
Cryst Sys trigonal/rhombohedral
Pearson hR7
Wyckoff c3 a
Red Cell RH 3.331 3.331 8.549 78.766 78.766 60 80.043
Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333
Comments Rhombohedral cell: 8.55, alpha=22.47
AE: Al1,2: C10; C1: Al18; C2: Al11
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-071-3787
The structure has been assigned a PDF number (experimental
powder diffraction data): 35-799
Structure type prototype : Al4C3
Structure type : Al4C3
X-ray diffraction from single crystal
Unusual difference between calculated and measured density
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 6 c 0 0 0.293(2) 1. 0
Al 2 +3 6 c 0 0 0.128(2) 1. 0
C 1 -4 3 a 0 0 0 1. 0
C 2 -4 6 c 0 0 0.217(4) 1. 0
*end for ICSD #52287
3. *data for ICSD #66751
Coll Code 66751
Rec Date 1995/10/17
Mod Date 2002/04/01