Materials Data on TmSeO3F by Materials Project
Abstract
TmSeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Tm–O bond distances ranging from 2.26–2.63 Å. Both Tm–F bond lengths are 2.18 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tm3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and one Se4+ atom. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Tm3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-557457
- 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; TmSeO3F; F-O-Se-Tm
- OSTI Identifier:
- 1269849
- DOI:
- https://doi.org/10.17188/1269849
Citation Formats
The Materials Project. Materials Data on TmSeO3F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269849.
The Materials Project. Materials Data on TmSeO3F by Materials Project. United States. doi:https://doi.org/10.17188/1269849
The Materials Project. 2020.
"Materials Data on TmSeO3F by Materials Project". United States. doi:https://doi.org/10.17188/1269849. https://www.osti.gov/servlets/purl/1269849. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269849,
title = {Materials Data on TmSeO3F by Materials Project},
author = {The Materials Project},
abstractNote = {TmSeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent F1- atoms. There are a spread of Tm–O bond distances ranging from 2.26–2.63 Å. Both Tm–F bond lengths are 2.18 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tm3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and one Se4+ atom. F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Tm3+ atoms.},
doi = {10.17188/1269849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}