Information card for entry 1521158

Structure parameters

• Chemical name: Ti0.309 Si11.691 O24
• Formula: O24 Si11.691 Ti0.309
• Calculated formula: O24 Si11.691 Ti0.309
• Title of publication: The siting of Ti in TS-1 is non-random. Powder neutron diffraction studies and theoretical calculations of TS-1 and FeS=1
• Authors of publication: Hijar, C.A.; Jacubinas, R.M.; Henson, N.J.; Eckert, J.; Hay, P.J.; Ott, K.C.
• Journal of publication: J. Phys. Chem. B
• Year of publication: 2000
• Journal volume: 104
• Pages of publication: 12157 - 12164
• a: 20.062 Å
• b: 19.88 Å
• c: 13.387 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5339.17 ų
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No