Materials Data on Gd5Si4 by Materials Project
Abstract
Gd5Si4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.07–3.16 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.09–3.18 Å. In the third Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.09–3.18 Å. In the fourth Gd site, Gd is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.73 Å. In the fifth Gd site, Gd is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.73 Å. In the sixth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.18 Å. In the seventh Gd site, Gd is bonded in a 6-coordinate geometry to sixmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199486
- 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; Gd5Si4; Gd-Si
- OSTI Identifier:
- 1654758
- DOI:
- https://doi.org/10.17188/1654758
Citation Formats
The Materials Project. Materials Data on Gd5Si4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1654758.
The Materials Project. Materials Data on Gd5Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1654758
The Materials Project. 2020.
"Materials Data on Gd5Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1654758. https://www.osti.gov/servlets/purl/1654758. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1654758,
title = {Materials Data on Gd5Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd5Si4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.07–3.16 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.09–3.18 Å. In the third Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.09–3.18 Å. In the fourth Gd site, Gd is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.73 Å. In the fifth Gd site, Gd is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.73 Å. In the sixth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.18 Å. In the seventh Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 3.07–3.16 Å. In the eighth Gd site, Gd is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Gd–Si bond distances ranging from 3.08–3.73 Å. In the ninth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.05 Å. In the tenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.90–3.05 Å. In the eleventh Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.06 Å. In the twelfth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.89–3.06 Å. In the thirteenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.06 Å. In the fourteenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.89–3.06 Å. In the fifteenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.91–3.04 Å. In the sixteenth Gd site, Gd is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Gd–Si bond distances ranging from 2.88–3.06 Å. In the seventeenth Gd site, Gd is bonded to six Si atoms to form distorted corner-sharing GdSi6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Gd–Si bond distances ranging from 2.95–3.32 Å. In the eighteenth Gd site, Gd is bonded to six Si atoms to form distorted corner-sharing GdSi6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Gd–Si bond distances ranging from 2.96–3.31 Å. In the nineteenth Gd site, Gd is bonded to six Si atoms to form distorted corner-sharing GdSi6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Gd–Si bond distances ranging from 2.95–3.34 Å. In the twentieth Gd site, Gd is bonded to six Si atoms to form distorted corner-sharing GdSi6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Gd–Si bond distances ranging from 2.94–3.33 Å. There are sixteen inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to seven Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to seven Gd and one Si atom. The Si–Si bond length is 2.49 Å. In the fifth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the sixth Si site, Si is bonded in a 8-coordinate geometry to seven Gd and one Si atom. In the seventh Si site, Si is bonded in a 9-coordinate geometry to seven Gd and one Si atom. In the eighth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the ninth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the tenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the eleventh Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.50 Å. In the twelfth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. The Si–Si bond length is 2.51 Å. In the thirteenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the fourteenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the fifteenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom. In the sixteenth Si site, Si is bonded in a 9-coordinate geometry to eight Gd and one Si atom.},
doi = {10.17188/1654758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}