Qandilite Millard R L, Peterson R C, Hunter B K American Mineralogist 80 (1995) 885-896 Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM445, 1405 C, Mg2TiO4 _database_code_amcsd 0001746 8.44183 8.44183 8.44183 90 90 90 *Fd3m .125 .125 .125 atom x y z occ Biso Ti .125 .125 .125 .036 .53 Mg .125 .125 .125 .964 .53 Ti .5 .5 .5 .482 .41 Mg .5 .5 .5 .518 .41 O .2616 .2616 .2616 .62