Information card for entry 9003568

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 = 11.8 GPa
• 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: 6.3769 Å
• b: 6.6439 Å
• c: 6.1667 Å
• α: 90°
• β: 102.22°
• γ: 90°
• Cell volume: 255.348 ų
• Ambient diffracton pressure: 11800000 kPa
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No