Materials Data on Nd5Si4 by Materials Project
Nd5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded to six Si atoms to form a mixture of distorted face and corner-sharing NdSi6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of Nd–Si bond distances ranging from 3.05–3.43 Å. In the second 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 2.98–3.13 Å. In the third Nd site, Nd is bonded to six Si atoms to form a mixture of distorted edge, face, and corner-sharing NdSi6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Nd–Si bond distances ranging from 3.15–3.25 Å. There are three 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 2.51 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Nd and one Si atom. In the third Si site, Si is bonded in a 8-coordinate geometry to seven Nd and one Si atom. The Si–Si bond length is 2.47 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1279973
- Report Number(s):
- mp-640791
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Nd5Si3 by Materials Project
Materials Data on Nd15Si7Ni2 by Materials Project