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Title: Materials Data on NaTm(SO4)2 by Materials Project

Abstract

NaTm(SO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.84 Å. Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.34 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tm3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tm3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bentmore » 120 degrees geometry to one Tm3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Tm3+, and one S6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-7719
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; NaTm(SO4)2; Na-O-S-Tm
OSTI Identifier:
1300923
DOI:
https://doi.org/10.17188/1300923

Citation Formats

The Materials Project. Materials Data on NaTm(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300923.
The Materials Project. Materials Data on NaTm(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1300923
The Materials Project. 2020. "Materials Data on NaTm(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1300923. https://www.osti.gov/servlets/purl/1300923. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1300923,
title = {Materials Data on NaTm(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaTm(SO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.84 Å. Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.34 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tm3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tm3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tm3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Tm3+, and one S6+ atom.},
doi = {10.17188/1300923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}