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 0013283
5.6152 9.7264 8.8241 90 90 90 Cmc2_1
atom        x        y        z
Al1   .248552  .082842  .142078
Al2        .5 -.166634  .347764
Al3        .5  .166642  .459407
Al4         0 -.165774  .141986
O1    .248666 -.082906  .244430
O2   -.228292  .257217 -.493410
O3          0  .000015 -.475837
O4          0 -.333349  .252289
O5          0  .165747  .244509
O6         .5  .014523  .006525
H           0  .000005 -.086843