Information card for entry 9003569

Structure parameters

• Formula: Ca O4 S
• Calculated formula: Ca O4 S
• SMILES: [Ca+2].S(=O)(=O)([O-])[O-]
• Title of publication: Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4 at high pressure and temperature Sample: P = 21 GPa, T = 1450 K
• Authors of publication: Crichton, W. A.; Parise, J. B.; Antao, S. M.; Grzechnik, A.
• Journal of publication: American Mineralogist
• Year of publication: 2005
• Journal volume: 90
• Pages of publication: 22 - 27
• a: 6.3365 Å
• b: 7.5347 Å
• c: 4.9532 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 236.484 ų
• Ambient diffraction temperature: 1450 K
• Ambient diffracton pressure: 21000000 kPa
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No