Materials Data on GdTmO3 by Materials Project
Abstract
TmGdO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 43–46°. There are a spread of Tm–O bond distances ranging from 2.21–2.26 Å. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–3.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Gd3+ atoms to form distorted corner-sharing OGd2Tm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and three equivalent Gd3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-756030
- 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; GdTmO3; Gd-O-Tm
- OSTI Identifier:
- 1290325
- DOI:
- https://doi.org/10.17188/1290325
Citation Formats
The Materials Project. Materials Data on GdTmO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290325.
The Materials Project. Materials Data on GdTmO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290325
The Materials Project. 2020.
"Materials Data on GdTmO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290325. https://www.osti.gov/servlets/purl/1290325. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1290325,
title = {Materials Data on GdTmO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TmGdO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 43–46°. There are a spread of Tm–O bond distances ranging from 2.21–2.26 Å. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.26–3.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Gd3+ atoms to form distorted corner-sharing OGd2Tm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and three equivalent Gd3+ atoms.},
doi = {10.17188/1290325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}