Materials Data on Yb(GaS2)2 by Materials Project
Abstract
Yb(GaS2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.97–3.07 Å. In the second Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.99 Å) and four longer (3.05 Å) Yb–S bond lengths. In the third Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.00 Å) and four longer (3.03 Å) Yb–S bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.32 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.32 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-561799
- 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; Yb(GaS2)2; Ga-S-Yb
- OSTI Identifier:
- 1272232
- DOI:
- https://doi.org/10.17188/1272232
Citation Formats
The Materials Project. Materials Data on Yb(GaS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272232.
The Materials Project. Materials Data on Yb(GaS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1272232
The Materials Project. 2020.
"Materials Data on Yb(GaS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1272232. https://www.osti.gov/servlets/purl/1272232. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1272232,
title = {Materials Data on Yb(GaS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb(GaS2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are three inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.97–3.07 Å. In the second Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.99 Å) and four longer (3.05 Å) Yb–S bond lengths. In the third Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.00 Å) and four longer (3.03 Å) Yb–S bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.32 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.32 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two Yb2+ and two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded to two Yb2+ and two Ga3+ atoms to form a mixture of distorted corner and edge-sharing SYb2Ga2 trigonal pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Yb2+ and two equivalent Ga3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two Yb2+ and two Ga3+ atoms.},
doi = {10.17188/1272232},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}