Oxygen Lundegaard L F, Guillaume C, McMahon M I, Gregoryanz E, Merlini M Journal of Chemical Physics 130 (2009) 164516 On the structure of high-pressure high-temperature eta-O2 Locality: Synthetic _database_code_amcsd 0020613 2.561 2.561 6.575 90 90 120 P6_3/mmc atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) O 1/3 2/3 .161 .0498 .0498 .030 .0249 0 0