Portlandite Desgranges L, Grebille D, Calvarin g, Chevrier G, Floquet N, Niepce J Acta Crystallographica B49 (1993) 812-817 Hydrogen thermal motion in calcium hydroxide: Ca (O H)2 _cod_database_code 1001787 _database_code_amcsd 0009876 3.589 3.589 4.911 90 90 120 P-3m1 atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) O1 1/3 2/3 .7663 .0083 .0083 .0105 .00415 0 0 H1 .3606 .7212 .5762 .333 .0353 .0353 .0162 .0187 .0025 -.0025 Ca1 0 0 0 .0041 .0041 .0145 .00205 0 0