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Title: Materials Data on Er3B7W by Materials Project

Abstract

Er3WB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.64–2.72 Å. In the second Er3+ site, Er3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.63–3.34 Å. W6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of W–B bond distances ranging from 2.33–2.37 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Er3+ and three B+2.14- atoms. There is one shorter (1.82 Å) and two longer (1.96 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Er3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.91 Å) and one longer (1.95 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.82more » Å) and one longer (1.83 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Er3+, two equivalent W6+, and two equivalent B+2.14- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1191731
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; Er3B7W; B-Er-W
OSTI Identifier:
1748352
DOI:
https://doi.org/10.17188/1748352

Citation Formats

The Materials Project. Materials Data on Er3B7W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748352.
The Materials Project. Materials Data on Er3B7W by Materials Project. United States. doi:https://doi.org/10.17188/1748352
The Materials Project. 2020. "Materials Data on Er3B7W by Materials Project". United States. doi:https://doi.org/10.17188/1748352. https://www.osti.gov/servlets/purl/1748352. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748352,
title = {Materials Data on Er3B7W by Materials Project},
author = {The Materials Project},
abstractNote = {Er3WB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.64–2.72 Å. In the second Er3+ site, Er3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.63–3.34 Å. W6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of W–B bond distances ranging from 2.33–2.37 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Er3+ and three B+2.14- atoms. There is one shorter (1.82 Å) and two longer (1.96 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Er3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.91 Å) and one longer (1.95 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.82 Å) and one longer (1.83 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Er3+, two equivalent W6+, and two equivalent B+2.14- atoms.},
doi = {10.17188/1748352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}