Materials Data on Y2HgO4 by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1290114· OSTI ID:1290114

The Materials Project

Y2HgO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share corners with six equivalent HgO4 tetrahedra and edges with six equivalent YO6 octahedra. All Y–O bond lengths are 2.29 Å. Hg2+ is bonded to four equivalent O2- atoms to form HgO4 tetrahedra that share corners with twelve equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Hg–O bond lengths are 2.35 Å. O2- is bonded to three equivalent Y3+ and one Hg2+ atom to form a mixture of distorted corner and edge-sharing OY3Hg 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: 1290114
• Report Number(s): mp-755634
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Y2HgO4
Hg-O-Y