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Title: Materials Data on Na2TmMoPO8 by Materials Project

Abstract

Na2TmMoPO8 is Esseneite-derived structured and crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.93 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.26–2.42 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.82 Å) Mo–O bond length. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Tm3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Tm3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tm3+, andmore » one Mo6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1210390
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; Na2TmMoPO8; Mo-Na-O-P-Tm
OSTI Identifier:
1689118
DOI:
https://doi.org/10.17188/1689118

Citation Formats

The Materials Project. Materials Data on Na2TmMoPO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689118.
The Materials Project. Materials Data on Na2TmMoPO8 by Materials Project. United States. doi:https://doi.org/10.17188/1689118
The Materials Project. 2020. "Materials Data on Na2TmMoPO8 by Materials Project". United States. doi:https://doi.org/10.17188/1689118. https://www.osti.gov/servlets/purl/1689118. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1689118,
title = {Materials Data on Na2TmMoPO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2TmMoPO8 is Esseneite-derived structured and crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.93 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.26–2.42 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.82 Å) Mo–O bond length. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Tm3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Tm3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Tm3+, and one Mo6+ atom.},
doi = {10.17188/1689118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}