U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd4GaSbS9 by Materials Project
Abstract
Gd4GaSbS9 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first 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 2.73–3.05 Å. In the second Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Gd–S bond distances ranging from 2.74–2.88 Å. In the third Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Gd–S bond distances ranging from 2.74–2.85 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Gd–S bond distances ranging from 2.73–2.84 Å. Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.29–2.33 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.86 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199284
- 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; Gd4GaSbS9; Ga-Gd-S-Sb
- OSTI Identifier:
- 1652949
- DOI:
- https://doi.org/10.17188/1652949
Citation Formats
The Materials Project. Materials Data on Gd4GaSbS9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1652949.
The Materials Project. Materials Data on Gd4GaSbS9 by Materials Project. United States. doi:https://doi.org/10.17188/1652949
The Materials Project. 2019.
"Materials Data on Gd4GaSbS9 by Materials Project". United States. doi:https://doi.org/10.17188/1652949. https://www.osti.gov/servlets/purl/1652949. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1652949,
title = {Materials Data on Gd4GaSbS9 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd4GaSbS9 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first 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 2.73–3.05 Å. In the second Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Gd–S bond distances ranging from 2.74–2.88 Å. In the third Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Gd–S bond distances ranging from 2.74–2.85 Å. In the fourth Gd3+ site, Gd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Gd–S bond distances ranging from 2.73–2.84 Å. Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.29–2.33 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.86 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Gd3+ and one Ga3+ atom. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Gd3+ atoms. In the fourth S2- site, S2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd4 trigonal pyramids. In the fifth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Gd3+ atoms. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Gd3+ and one Sb3+ atom. In the seventh S2- site, S2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing SGd4 trigonal pyramids. In the eighth S2- site, S2- is bonded in a 3-coordinate geometry to one Gd3+ and two equivalent Sb3+ atoms. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to two Gd3+, one Ga3+, and one Sb3+ atom. In the tenth S2- site, S2- is bonded in a 4-coordinate geometry to three Gd3+ and one Ga3+ atom.},
doi = {10.17188/1652949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}