Materials Data on Gd2As4O11 by Materials Project
Abstract
Gd2As4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.82 Å. There are two inequivalent As4+ sites. In the first As4+ site, As4+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.67–1.78 Å. In the second As4+ site, As4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.78–2.50 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Gd3+ and one As4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and two As4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Gd3+ and two As4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-767404
- 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; Gd2As4O11; As-Gd-O
- OSTI Identifier:
- 1297580
- DOI:
- https://doi.org/10.17188/1297580
Citation Formats
The Materials Project. Materials Data on Gd2As4O11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297580.
The Materials Project. Materials Data on Gd2As4O11 by Materials Project. United States. doi:https://doi.org/10.17188/1297580
The Materials Project. 2020.
"Materials Data on Gd2As4O11 by Materials Project". United States. doi:https://doi.org/10.17188/1297580. https://www.osti.gov/servlets/purl/1297580. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1297580,
title = {Materials Data on Gd2As4O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2As4O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–2.82 Å. There are two inequivalent As4+ sites. In the first As4+ site, As4+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.67–1.78 Å. In the second As4+ site, As4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.78–2.50 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Gd3+ and one As4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and two As4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Gd3+ and two As4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As4+ atoms.},
doi = {10.17188/1297580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}