U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd4(SiS4)3 by Materials Project
Abstract
Gd4(SiS4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.81–3.17 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.83–3.02 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.80–3.31 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Gd–S bond distances ranging from 2.74–3.31 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.10–2.15 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.08–2.14 Å. In the third Si4+ site, Si4+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199792
- 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; Gd4(SiS4)3; Gd-S-Si
- OSTI Identifier:
- 1736923
- DOI:
- https://doi.org/10.17188/1736923
Citation Formats
The Materials Project. Materials Data on Gd4(SiS4)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1736923.
The Materials Project. Materials Data on Gd4(SiS4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1736923
The Materials Project. 2019.
"Materials Data on Gd4(SiS4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1736923. https://www.osti.gov/servlets/purl/1736923. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1736923,
title = {Materials Data on Gd4(SiS4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd4(SiS4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.81–3.17 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.83–3.02 Å. In the third Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Gd–S bond distances ranging from 2.80–3.31 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Gd–S bond distances ranging from 2.74–3.31 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.10–2.15 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.08–2.14 Å. In the third Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.15 Å. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Gd3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Gd3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two Gd3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded to three Gd3+ and one Si4+ atom to form distorted corner-sharing SGd3Si trigonal pyramids. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three Gd3+ and one Si4+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to three Gd3+ and one Si4+ atom. In the eighth S2- site, S2- is bonded in a 1-coordinate geometry to three Gd3+ and one Si4+ atom. In the ninth S2- site, S2- is bonded in a 3-coordinate geometry to two Gd3+ and one Si4+ atom. In the tenth S2- site, S2- is bonded to three Gd3+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing SGd3Si trigonal pyramids. In the eleventh S2- site, S2- is bonded in a 4-coordinate geometry to three Gd3+ and one Si4+ atom. In the twelfth S2- site, S2- is bonded in a 3-coordinate geometry to two Gd3+ and one Si4+ atom.},
doi = {10.17188/1736923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}