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Title: Materials Data on Gd3ReB7 by Materials Project

Abstract

Gd3ReB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Gd–B bond distances ranging from 2.67–2.78 Å. In the second Gd3+ site, Gd3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Gd–B bond distances ranging from 2.69–2.73 Å. Re6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Re–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 Gd3+ and three B+2.14- atoms. There is one shorter (1.88 Å) and two longer (2.02 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.85 Å) and one longer (1.88 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 Gd3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.77more » Å) and one longer (1.93 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 2-coordinate geometry to four equivalent Gd3+, two equivalent Re6+, and two equivalent B+2.14- atoms.« less

Publication Date:
Other Number(s):
mp-1190894
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; Gd3ReB7; B-Gd-Re
OSTI Identifier:
1746716
DOI:
https://doi.org/10.17188/1746716

Citation Formats

The Materials Project. Materials Data on Gd3ReB7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746716.
The Materials Project. Materials Data on Gd3ReB7 by Materials Project. United States. doi:https://doi.org/10.17188/1746716
The Materials Project. 2020. "Materials Data on Gd3ReB7 by Materials Project". United States. doi:https://doi.org/10.17188/1746716. https://www.osti.gov/servlets/purl/1746716. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1746716,
title = {Materials Data on Gd3ReB7 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd3ReB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Gd–B bond distances ranging from 2.67–2.78 Å. In the second Gd3+ site, Gd3+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Gd–B bond distances ranging from 2.69–2.73 Å. Re6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Re–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 Gd3+ and three B+2.14- atoms. There is one shorter (1.88 Å) and two longer (2.02 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Gd3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.85 Å) and one longer (1.88 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 Gd3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.77 Å) and one longer (1.93 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 2-coordinate geometry to four equivalent Gd3+, two equivalent Re6+, and two equivalent B+2.14- atoms.},
doi = {10.17188/1746716},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}