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