skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Y3ReB7 by Materials Project

Abstract

Y3ReB7 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 9-coordinate geometry to nine B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.57–2.91 Å. In the second Y3+ site, Y3+ is bonded in a 12-coordinate geometry to fourteen B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.59–2.89 Å. Re6+ is bonded in a 5-coordinate geometry to five B+2.14- atoms. There are four shorter (2.29 Å) and one longer (2.35 Å) Re–B bond lengths. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 3-coordinate geometry to four Y3+ and four B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.68–1.91 Å. In the second B+2.14- site, B+2.14- is bonded to four Y3+ and three B+2.14- atoms to form a mixture of distorted face, edge, and corner-sharing BY4B3 pentagonal bipyramids. The B–B bond length is 1.69 Å. In the third B+2.14- site, B+2.14- is bonded in a 3-coordinate geometry to six Y3+, one Re6+, and two equivalent B+2.14- atoms. In the fourth B+2.14- site, B+2.14- ismore » bonded in a 9-coordinate geometry to five Y3+, two equivalent Re6+, and two B+2.14- atoms. The B–B bond length is 1.80 Å.« less

Publication Date:
Other Number(s):
mp-569002
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; Y3ReB7; B-Re-Y
OSTI Identifier:
1274867
DOI:
10.17188/1274867

Citation Formats

The Materials Project. Materials Data on Y3ReB7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274867.
The Materials Project. Materials Data on Y3ReB7 by Materials Project. United States. doi:10.17188/1274867.
The Materials Project. 2020. "Materials Data on Y3ReB7 by Materials Project". United States. doi:10.17188/1274867. https://www.osti.gov/servlets/purl/1274867. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1274867,
title = {Materials Data on Y3ReB7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3ReB7 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 9-coordinate geometry to nine B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.57–2.91 Å. In the second Y3+ site, Y3+ is bonded in a 12-coordinate geometry to fourteen B+2.14- atoms. There are a spread of Y–B bond distances ranging from 2.59–2.89 Å. Re6+ is bonded in a 5-coordinate geometry to five B+2.14- atoms. There are four shorter (2.29 Å) and one longer (2.35 Å) Re–B bond lengths. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 3-coordinate geometry to four Y3+ and four B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.68–1.91 Å. In the second B+2.14- site, B+2.14- is bonded to four Y3+ and three B+2.14- atoms to form a mixture of distorted face, edge, and corner-sharing BY4B3 pentagonal bipyramids. The B–B bond length is 1.69 Å. In the third B+2.14- site, B+2.14- is bonded in a 3-coordinate geometry to six Y3+, one Re6+, and two equivalent B+2.14- atoms. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Y3+, two equivalent Re6+, and two B+2.14- atoms. The B–B bond length is 1.80 Å.},
doi = {10.17188/1274867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: