Materials Data on Nd5Si4 by Materials Project
Abstract
Nd5Si4 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Nd–Si bond distances ranging from 2.96–3.12 Å. In the second Nd site, Nd is bonded to six Si atoms to form a mixture of distorted corner, edge, and face-sharing NdSi6 octahedra. The corner-sharing octahedra tilt angles range from 40–47°. There are a spread of Nd–Si bond distances ranging from 3.15–3.35 Å. In the third Nd site, Nd is bonded to six Si atoms to form a mixture of corner and face-sharing NdSi6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Nd–Si bond distances ranging from 3.11–3.18 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Nd and one Si atom. The Si–Si bond length is 2.46 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Nd and one Si atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-355
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Nd5Si4; Nd-Si
- OSTI Identifier:
- 1207002
- DOI:
- https://doi.org/10.17188/1207002
Citation Formats
The Materials Project. Materials Data on Nd5Si4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207002.
The Materials Project. Materials Data on Nd5Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1207002
The Materials Project. 2020.
"Materials Data on Nd5Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1207002. https://www.osti.gov/servlets/purl/1207002. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1207002,
title = {Materials Data on Nd5Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd5Si4 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Nd–Si bond distances ranging from 2.96–3.12 Å. In the second Nd site, Nd is bonded to six Si atoms to form a mixture of distorted corner, edge, and face-sharing NdSi6 octahedra. The corner-sharing octahedra tilt angles range from 40–47°. There are a spread of Nd–Si bond distances ranging from 3.15–3.35 Å. In the third Nd site, Nd is bonded to six Si atoms to form a mixture of corner and face-sharing NdSi6 octahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Nd–Si bond distances ranging from 3.11–3.18 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Nd and one Si atom. The Si–Si bond length is 2.46 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Nd and one Si atom.},
doi = {10.17188/1207002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}