Materials Data on CaZnSO by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1282012· OSTI ID:1282012

The Materials Project

CaZnOS crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- and three equivalent O2- atoms. All Ca–S bond lengths are 3.08 Å. All Ca–O bond lengths are 2.29 Å. Zn2+ is bonded to three equivalent S2- and one O2- atom to form corner-sharing ZnS3O tetrahedra. All Zn–S bond lengths are 2.38 Å. The Zn–O bond length is 1.93 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ca2+ and three equivalent Zn2+ atoms. O2- is bonded to three equivalent Ca2+ and one Zn2+ atom to form corner-sharing OCa3Zn tetrahedra.

• 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: 1282012
• Report Number(s): mp-7204
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CaZnSO
Ca-O-S-Zn