Materials Data on Gd(SO4)3 by Materials Project
Abstract
Gd(SO4)3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two Gd(SO4)3 sheets oriented in the (0, 0, 1) direction. Gd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Gd–O bond distances ranging from 2.35–2.44 Å. There are three inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. In the third S site, S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Gd and one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the third O site, O is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1197592
- 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; Gd(SO4)3; Gd-O-S
- OSTI Identifier:
- 1749313
- DOI:
- https://doi.org/10.17188/1749313
Citation Formats
The Materials Project. Materials Data on Gd(SO4)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1749313.
The Materials Project. Materials Data on Gd(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1749313
The Materials Project. 2019.
"Materials Data on Gd(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1749313. https://www.osti.gov/servlets/purl/1749313. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1749313,
title = {Materials Data on Gd(SO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd(SO4)3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two Gd(SO4)3 sheets oriented in the (0, 0, 1) direction. Gd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Gd–O bond distances ranging from 2.35–2.44 Å. There are three inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. In the third S site, S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Gd and one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom. In the seventh O site, O is bonded in a single-bond geometry to one S atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the tenth O site, O is bonded in a linear geometry to one Gd and one S atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom.},
doi = {10.17188/1749313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 05 00:00:00 EDT 2019},
month = {Thu Sep 05 00:00:00 EDT 2019}
}