U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd3Si6N11 by Materials Project
Abstract
Nd3Si6N11 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Nd–N bond distances ranging from 2.47–2.89 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.60 Å) and four longer (2.62 Å) Nd–N bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.69–1.77 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.78 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Nd3+ and three Si4+ atoms. In the second N3- site, N3- is bonded to two Nd3+ and two equivalent Si4+ atoms to form a mixture of distorted edge and corner-sharing NNd2Si2 trigonal pyramids. In the third N3- site, N3-more »
- Publication Date:
- Other Number(s):
- mp-1209932
- 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; N-Nd-Si; Nd3Si6N11; crystal structure
- OSTI Identifier:
- 1718564
- DOI:
- https://doi.org/10.17188/1718564
Citation Formats
Materials Data on Nd3Si6N11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718564.
Materials Data on Nd3Si6N11 by Materials Project. United States. doi:https://doi.org/10.17188/1718564
2020.
"Materials Data on Nd3Si6N11 by Materials Project". United States. doi:https://doi.org/10.17188/1718564. https://www.osti.gov/servlets/purl/1718564. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1718564,
title = {Materials Data on Nd3Si6N11 by Materials Project},
abstractNote = {Nd3Si6N11 crystallizes in the tetragonal P4bm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Nd–N bond distances ranging from 2.47–2.89 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.60 Å) and four longer (2.62 Å) Nd–N bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.69–1.77 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.78 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Nd3+ and three Si4+ atoms. In the second N3- site, N3- is bonded to two Nd3+ and two equivalent Si4+ atoms to form a mixture of distorted edge and corner-sharing NNd2Si2 trigonal pyramids. In the third N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Nd3+ and two equivalent Si4+ atoms. In the fourth N3- site, N3- is bonded in a 2-coordinate geometry to three Nd3+ and two Si4+ atoms.},
doi = {10.17188/1718564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}