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 1008748
_database_code_amcsd 0016627
4.513 4.513 7.355 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 .0629       2.39   2.39   2.39    1.2      0      0
D1     1/3   2/3 .1989  .5   3.23   3.23   2.97   1.62      0      0
D2   .4551 .9102 .0182  .5   3.30   2.80   3.05    1.4    .24    .48