Materials Data on BaHo2O4 by Materials Project
Abstract
BaHo2O4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Ba2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ba–O bond distances ranging from 2.56–2.62 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.13–2.53 Å. In the second Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.13–2.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+ and four Ho3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+ and four Ho3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Ho3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Ho3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1096879
- 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; BaHo2O4; Ba-Ho-O
- OSTI Identifier:
- 1696081
- DOI:
- https://doi.org/10.17188/1696081
Citation Formats
The Materials Project. Materials Data on BaHo2O4 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1696081.
The Materials Project. Materials Data on BaHo2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1696081
The Materials Project. 2018.
"Materials Data on BaHo2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1696081. https://www.osti.gov/servlets/purl/1696081. Pub date:Fri May 11 00:00:00 EDT 2018
@article{osti_1696081,
title = {Materials Data on BaHo2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaHo2O4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Ba2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ba–O bond distances ranging from 2.56–2.62 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.13–2.53 Å. In the second Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.13–2.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+ and four Ho3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+ and four Ho3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Ho3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+ and two equivalent Ho3+ atoms.},
doi = {10.17188/1696081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}