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Title: Materials Data on Y3B7W by Materials Project

Abstract

Y3WB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.65–2.75 Å. In the second Y3+ site, Y3+ is bonded in a 10-coordinate geometry to eleven B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.65–3.40 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 2.33–2.38 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to five Y3+, two equivalent W6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.81 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.86 Å) and one longer (1.92 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Y3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.84 Å) and onemore » longer (1.95 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Y3+ and three B+2.14- atoms. Both B–B bond lengths are 1.98 Å.« less

Publication Date:
Other Number(s):
mp-14373
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y3B7W; B-W-Y
OSTI Identifier:
1190637
DOI:
https://doi.org/10.17188/1190637

Citation Formats

The Materials Project. Materials Data on Y3B7W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190637.
The Materials Project. Materials Data on Y3B7W by Materials Project. United States. doi:https://doi.org/10.17188/1190637
The Materials Project. 2020. "Materials Data on Y3B7W by Materials Project". United States. doi:https://doi.org/10.17188/1190637. https://www.osti.gov/servlets/purl/1190637. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1190637,
title = {Materials Data on Y3B7W by Materials Project},
author = {The Materials Project},
abstractNote = {Y3WB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.65–2.75 Å. In the second Y3+ site, Y3+ is bonded in a 10-coordinate geometry to eleven B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.65–3.40 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 2.33–2.38 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to five Y3+, two equivalent W6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.81 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Y3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.86 Å) and one longer (1.92 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Y3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.84 Å) and one longer (1.95 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Y3+ and three B+2.14- atoms. Both B–B bond lengths are 1.98 Å.},
doi = {10.17188/1190637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}