Ice Ih deuterated
Peterson S, Levy H
Acta Crystallographica 10 (1957) 70-76
A Single-Crystal Neutron Diffraction Study of Heavy Ice
_cod_database_code 1008749
_database_code_amcsd 0016628
4.489 4.489 7.327 90 90 120 P6_3/mmc
atom     x    y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
O1     1/3  2/3 .0620       1.53   1.53   1.48    .76      0      0
D1     1/3  2/3 .1980  .5   2.41   2.41   1.81    1.2      0      0
D2   .4545 .909 .0172  .5   2.29   1.85   2.43    .92    .24    .48