U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd3NbSb5 by Materials Project
Abstract
Nd3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Sb+2.80- atoms. There are a spread of Nd–Sb bond distances ranging from 3.19–3.40 Å. Nb5+ is bonded to six equivalent Sb+2.80- atoms to form face-sharing NbSb6 octahedra. All Nb–Sb bond lengths are 2.93 Å. There are two inequivalent Sb+2.80- sites. In the first Sb+2.80- site, Sb+2.80- is bonded to five equivalent Nd3+ and two equivalent Nb5+ atoms to form a mixture of distorted edge, corner, and face-sharing SbNd5Nb2 pentagonal bipyramids. In the second Sb+2.80- site, Sb+2.80- is bonded in a 8-coordinate geometry to six equivalent Nd3+ and two equivalent Sb+2.80- atoms. Both Sb–Sb bond lengths are 3.13 Å.
- Publication Date:
- Other Number(s):
- mp-1209863
- 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; Nb-Nd-Sb; Nd3NbSb5; crystal structure
- OSTI Identifier:
- 1656383
- DOI:
- https://doi.org/10.17188/1656383
Citation Formats
Materials Data on Nd3NbSb5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1656383.
Materials Data on Nd3NbSb5 by Materials Project. United States. doi:https://doi.org/10.17188/1656383
2020.
"Materials Data on Nd3NbSb5 by Materials Project". United States. doi:https://doi.org/10.17188/1656383. https://www.osti.gov/servlets/purl/1656383. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1656383,
title = {Materials Data on Nd3NbSb5 by Materials Project},
abstractNote = {Nd3NbSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Sb+2.80- atoms. There are a spread of Nd–Sb bond distances ranging from 3.19–3.40 Å. Nb5+ is bonded to six equivalent Sb+2.80- atoms to form face-sharing NbSb6 octahedra. All Nb–Sb bond lengths are 2.93 Å. There are two inequivalent Sb+2.80- sites. In the first Sb+2.80- site, Sb+2.80- is bonded to five equivalent Nd3+ and two equivalent Nb5+ atoms to form a mixture of distorted edge, corner, and face-sharing SbNd5Nb2 pentagonal bipyramids. In the second Sb+2.80- site, Sb+2.80- is bonded in a 8-coordinate geometry to six equivalent Nd3+ and two equivalent Sb+2.80- atoms. Both Sb–Sb bond lengths are 3.13 Å.},
doi = {10.17188/1656383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}