U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdAs2 by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-13961
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Nd; NdAs2; crystal structure
- OSTI Identifier:
- 1189842
- DOI:
- https://doi.org/10.17188/1189842
Citation Formats
Materials Data on NdAs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189842.
Materials Data on NdAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1189842
2020.
"Materials Data on NdAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1189842. https://www.osti.gov/servlets/purl/1189842. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189842,
title = {Materials Data on NdAs2 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1189842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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