U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GdAsO3 by Materials Project
Abstract
GdAsO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing GdO6 pentagonal pyramids. There are a spread of Gd–O bond distances ranging from 2.32–2.49 Å. As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd3+ and one As3+ atom.
- Publication Date:
- Other Number(s):
- mp-753953
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Gd-O; GdAsO3; crystal structure
- OSTI Identifier:
- 1289193
- DOI:
- https://doi.org/10.17188/1289193
Citation Formats
Materials Data on GdAsO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289193.
Materials Data on GdAsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289193
2020.
"Materials Data on GdAsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289193. https://www.osti.gov/servlets/purl/1289193. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1289193,
title = {Materials Data on GdAsO3 by Materials Project},
abstractNote = {GdAsO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Gd3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing GdO6 pentagonal pyramids. There are a spread of Gd–O bond distances ranging from 2.32–2.49 Å. As3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Gd3+ and one As3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd3+ and one As3+ atom.},
doi = {10.17188/1289193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}