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Title: Materials Data on Dy2ReB6 by Materials Project

Abstract

Dy2ReB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 4-coordinate geometry to fourteen B2- atoms. There are a spread of Dy–B bond distances ranging from 2.75–2.83 Å. In the second Dy3+ site, Dy3+ is bonded to twelve B2- atoms to form a mixture of face and edge-sharing DyB12 cuboctahedra. There are a spread of Dy–B bond distances ranging from 2.60–2.63 Å. Re6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Re–B bond distances ranging from 2.36–2.41 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to six Dy3+ and three B2- atoms. There are a spread of B–B bond distances ranging from 1.85–1.98 Å. In the second B2- site, B2- is bonded in a 3-coordinate geometry to four equivalent Dy3+, two equivalent Re6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.80–1.84 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Re6+, and three B2- atoms. The B–B bondmore » length is 1.82 Å. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Re6+, and three B2- atoms. There is one shorter (1.74 Å) and one longer (1.86 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Re6+, and three B2- atoms. The B–B bond length is 1.80 Å. In the sixth B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Re6+, and three B2- atoms.« less

Publication Date:
Other Number(s):
mp-1204645
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; Dy2ReB6; B-Dy-Re
OSTI Identifier:
1699583
DOI:
https://doi.org/10.17188/1699583

Citation Formats

The Materials Project. Materials Data on Dy2ReB6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699583.
The Materials Project. Materials Data on Dy2ReB6 by Materials Project. United States. doi:https://doi.org/10.17188/1699583
The Materials Project. 2020. "Materials Data on Dy2ReB6 by Materials Project". United States. doi:https://doi.org/10.17188/1699583. https://www.osti.gov/servlets/purl/1699583. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1699583,
title = {Materials Data on Dy2ReB6 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2ReB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 4-coordinate geometry to fourteen B2- atoms. There are a spread of Dy–B bond distances ranging from 2.75–2.83 Å. In the second Dy3+ site, Dy3+ is bonded to twelve B2- atoms to form a mixture of face and edge-sharing DyB12 cuboctahedra. There are a spread of Dy–B bond distances ranging from 2.60–2.63 Å. Re6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Re–B bond distances ranging from 2.36–2.41 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to six Dy3+ and three B2- atoms. There are a spread of B–B bond distances ranging from 1.85–1.98 Å. In the second B2- site, B2- is bonded in a 3-coordinate geometry to four equivalent Dy3+, two equivalent Re6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.80–1.84 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Re6+, and three B2- atoms. The B–B bond length is 1.82 Å. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Re6+, and three B2- atoms. There is one shorter (1.74 Å) and one longer (1.86 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Re6+, and three B2- atoms. The B–B bond length is 1.80 Å. In the sixth B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Re6+, and three B2- atoms.},
doi = {10.17188/1699583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}