Quartz Rosa A L, El-Barbary A A, Heggie M I, Briddon P R Physics and Chemistry of Minerals 32 (2005) 323-331 Structural and thermodynamic properties of water related defects in alpha-quartz Note: Hypothetical structure derived using density-functional theory _database_code_amcsd 0008971 4.98 4.98 5.46 90 90 120 *P3_221 0 0 .666666667 atom x y z Si .4711 0 0 O .4123 .2661 .1186