U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdSe2 by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-570707
- 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; Nd-Se; NdSe2; crystal structure
- OSTI Identifier:
- 1275870
- DOI:
- https://doi.org/10.17188/1275870
Citation Formats
Materials Data on NdSe2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1275870.
Materials Data on NdSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1275870
2017.
"Materials Data on NdSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1275870. https://www.osti.gov/servlets/purl/1275870. Pub date:Fri May 19 00:00:00 EDT 2017
@article{osti_1275870,
title = {Materials Data on NdSe2 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1275870},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}
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