Materials Data on DyH3 by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1651566· OSTI ID:1651566

The Materials Project

DyH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Dy3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Dy–H bond distances ranging from 2.13–2.48 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Dy3+ atoms. In the second H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent Dy3+ atoms. In the third H1- site, H1- is bonded to four equivalent Dy3+ atoms to form a mixture of distorted edge, face, and corner-sharing HDy4 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: 1651566
• Report Number(s): mp-1191571
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
DyH3
Dy-H