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Title: Materials Data on Y3MnB7 by Materials Project

Abstract

Y3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Y–B bond distances ranging from 2.61–2.73 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to ten B atoms. There are a spread of Y–B bond distances ranging from 2.61–2.68 Å. Mn is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Mn–B bond distances ranging from 2.27–2.29 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Y and three B atoms. There is one shorter (1.90 Å) and two longer (1.96 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Y, two equivalent Mn, and three B atoms. There is one shorter (1.78 Å) and one longer (1.81 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Y, two equivalent Mn, and three B atoms. There is one shorter (1.72more » Å) and one longer (1.96 Å) B–B bond length. In the fourth B site, B is bonded in a 8-coordinate geometry to four equivalent Y, two equivalent Mn, and two equivalent B atoms.« less

Publication Date:
Other Number(s):
mp-1192224
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; Y3MnB7; B-Mn-Y
OSTI Identifier:
1744821
DOI:
https://doi.org/10.17188/1744821

Citation Formats

The Materials Project. Materials Data on Y3MnB7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744821.
The Materials Project. Materials Data on Y3MnB7 by Materials Project. United States. doi:https://doi.org/10.17188/1744821
The Materials Project. 2020. "Materials Data on Y3MnB7 by Materials Project". United States. doi:https://doi.org/10.17188/1744821. https://www.osti.gov/servlets/purl/1744821. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744821,
title = {Materials Data on Y3MnB7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Y–B bond distances ranging from 2.61–2.73 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to ten B atoms. There are a spread of Y–B bond distances ranging from 2.61–2.68 Å. Mn is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Mn–B bond distances ranging from 2.27–2.29 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Y and three B atoms. There is one shorter (1.90 Å) and two longer (1.96 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four Y, two equivalent Mn, and three B atoms. There is one shorter (1.78 Å) and one longer (1.81 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Y, two equivalent Mn, and three B atoms. There is one shorter (1.72 Å) and one longer (1.96 Å) B–B bond length. In the fourth B site, B is bonded in a 8-coordinate geometry to four equivalent Y, two equivalent Mn, and two equivalent B atoms.},
doi = {10.17188/1744821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}