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Title: Materials Data on Er3CrB7 by Materials Project

Abstract

Er3CrB7 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 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.60–2.67 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 2.60–2.70 Å. Cr6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Cr–B bond distances ranging from 2.27–2.29 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 four equivalent Er3+, two equivalent Cr6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.74 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr6+, and three B+2.14- atoms. There is one shorter (1.80 Å) and one longer (1.90 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Er3+, two equivalent Cr6+, and three B+2.14- atoms. There is one shorter (1.84 Å) andmore » one longer (1.87 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Er3+ and three B+2.14- atoms. Both B–B bond lengths are 1.95 Å.« less

Publication Date:
Other Number(s):
mp-14503
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; Er3CrB7; B-Cr-Er
OSTI Identifier:
1190706
DOI:
10.17188/1190706

Citation Formats

The Materials Project. Materials Data on Er3CrB7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190706.
The Materials Project. Materials Data on Er3CrB7 by Materials Project. United States. doi:10.17188/1190706.
The Materials Project. 2020. "Materials Data on Er3CrB7 by Materials Project". United States. doi:10.17188/1190706. https://www.osti.gov/servlets/purl/1190706. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1190706,
title = {Materials Data on Er3CrB7 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3CrB7 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 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Er–B bond distances ranging from 2.60–2.67 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 2.60–2.70 Å. Cr6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Cr–B bond distances ranging from 2.27–2.29 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 four equivalent Er3+, two equivalent Cr6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.74 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Cr6+, and three B+2.14- atoms. There is one shorter (1.80 Å) and one longer (1.90 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Er3+, two equivalent Cr6+, and three B+2.14- atoms. There is one shorter (1.84 Å) and one longer (1.87 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Er3+ and three B+2.14- atoms. Both B–B bond lengths are 1.95 Å.},
doi = {10.17188/1190706},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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