|
Akdalaite |
 |
Demichelis R, Noel Y, Zicovich-Wilson C M, Roetti C, Valenzano L, Dovesi R |
|
Journal of Physics: Conference Series 117 (2008) 012013-012013 |
|
Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): |
|
Structure and vibrational spectrum, |
|
Locality: Theoretical structure |
|
_database_code_amcsd 0013284 |
|
5.6153 5.6153 8.8249 90 90 120 P31c |
|
atom x y z |
|
Al1 .165716 .331422 .364659 |
|
Al2 2/3 1/3 .158910 |
|
Al3 1/3 2/3 .047391 |
|
O1 0 0 -.017474 |
|
O2 -.485505 .028955 .000156 |
|
O3 .331533 .165757 .262241 |
|
O4 1/3 2/3 .254470 |
|
H 0 0 .093526 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|