Materials Data on CaSO4 by Materials Project
CaSO4 is Zircon-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.59 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. All S–O bond lengths are 1.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one S6+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1208130
- Report Number(s):
- mp-4406
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on CaSO4 by Materials Project
Materials Data on CaSO4 by Materials Project
Materials Data on CaSO4 by Materials Project
Dataset
·
Fri Jul 17 00:00:00 EDT 2020
·
OSTI ID:1208130
Materials Data on CaSO4 by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1208130
Materials Data on CaSO4 by Materials Project
Dataset
·
Fri Jul 17 00:00:00 EDT 2020
·
OSTI ID:1208130