Materials Data on NdSe2 by Materials Project

Dataset · Fri May 19 00:00:00 EDT 2017

DOI:https://doi.org/10.17188/1275870· OSTI ID:1275870

The Materials Project

NdSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Nd–Se bond distances ranging from 3.00–3.24 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to four equivalent Nd3+ and one Se+1.50- atom. The Se–Se bond length is 2.54 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing SeNd5 trigonal bipyramids.

• 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: 1275870
• Report Number(s): mp-570707
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NdSe2
Nd-Se