Materials Data on NdAs2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1189842· OSTI ID:1189842

The Materials Project

NdAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Nd–As bond distances ranging from 3.02–3.23 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Nd3+ and one As+1.50- atom to form a mixture of distorted corner and edge-sharing AsNd5As pentagonal pyramids. The As–As bond length is 2.51 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two As+1.50- atoms. The As–As bond length is 2.54 Å.

• 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: 1189842
• Report Number(s): mp-13961
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NdAs2
As-Nd