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Title: Materials Data on Sc2B4Os5 by Materials Project

Abstract

Sc2Os5B4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six Os2- atoms. There are a spread of Sc–Os bond distances ranging from 2.68–2.76 Å. In the second Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six Os2- atoms. There are a spread of Sc–Os bond distances ranging from 2.68–2.76 Å. There are six inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 6-coordinate geometry to six B+1.50+ atoms. There are four shorter (2.31 Å) and two longer (2.32 Å) Os–B bond lengths. In the second Os2- site, Os2- is bonded in a 6-coordinate geometry to six B+1.50+ atoms. There are a spread of Os–B bond distances ranging from 2.30–2.32 Å. In the third Os2- site, Os2- is bonded in a distorted body-centered cubic geometry to four Sc2+ and four B+1.50+ atoms. There are two shorter (2.20 Å) and two longer (2.27 Å) Os–B bond lengths. In the fourth Os2- site, Os2- is bonded in a distorted body-centered cubic geometry to four Sc2+ and four B+1.50+ atoms. There are two shorter (2.20 Å)more » and two longer (2.27 Å) Os–B bond lengths. In the fifth Os2- site, Os2- is bonded in a distorted body-centered cubic geometry to four equivalent Sc2+ and four equivalent B+1.50+ atoms. All Os–B bond lengths are 2.23 Å. In the sixth Os2- site, Os2- is bonded in a distorted body-centered cubic geometry to four equivalent Sc2+ and four equivalent B+1.50+ atoms. All Os–B bond lengths are 2.23 Å. There are four inequivalent B+1.50+ sites. In the first B+1.50+ site, B+1.50+ is bonded to six Os2- atoms to form a mixture of distorted edge, face, and corner-sharing BOs6 pentagonal pyramids. In the second B+1.50+ site, B+1.50+ is bonded to six Os2- atoms to form a mixture of distorted edge, face, and corner-sharing BOs6 pentagonal pyramids. In the third B+1.50+ site, B+1.50+ is bonded to six Os2- atoms to form a mixture of distorted edge, face, and corner-sharing BOs6 pentagonal pyramids. In the fourth B+1.50+ site, B+1.50+ is bonded to six Os2- atoms to form a mixture of distorted edge, face, and corner-sharing BOs6 pentagonal pyramids.« less

Publication Date:
Other Number(s):
mp-1192274
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; Sc2B4Os5; B-Os-Sc
OSTI Identifier:
1686493
DOI:
https://doi.org/10.17188/1686493

Citation Formats

The Materials Project. Materials Data on Sc2B4Os5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1686493.
The Materials Project. Materials Data on Sc2B4Os5 by Materials Project. United States. doi:https://doi.org/10.17188/1686493
The Materials Project. 2019. "Materials Data on Sc2B4Os5 by Materials Project". United States. doi:https://doi.org/10.17188/1686493. https://www.osti.gov/servlets/purl/1686493. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1686493,
title = {Materials Data on Sc2B4Os5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2Os5B4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Sc2+ sites. In the first Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six Os2- atoms. There are a spread of Sc–Os bond distances ranging from 2.68–2.76 Å. In the second Sc2+ site, Sc2+ is bonded in a 6-coordinate geometry to six Os2- atoms. There are a spread of Sc–Os bond distances ranging from 2.68–2.76 Å. There are six inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 6-coordinate geometry to six B+1.50+ atoms. There are four shorter (2.31 Å) and two longer (2.32 Å) Os–B bond lengths. In the second Os2- site, Os2- is bonded in a 6-coordinate geometry to six B+1.50+ atoms. There are a spread of Os–B bond distances ranging from 2.30–2.32 Å. In the third Os2- site, Os2- is bonded in a distorted body-centered cubic geometry to four Sc2+ and four B+1.50+ atoms. There are two shorter (2.20 Å) and two longer (2.27 Å) Os–B bond lengths. In the fourth Os2- site, Os2- is bonded in a distorted body-centered cubic geometry to four Sc2+ and four B+1.50+ atoms. There are two shorter (2.20 Å) and two longer (2.27 Å) Os–B bond lengths. In the fifth Os2- site, Os2- is bonded in a distorted body-centered cubic geometry to four equivalent Sc2+ and four equivalent B+1.50+ atoms. All Os–B bond lengths are 2.23 Å. In the sixth Os2- site, Os2- is bonded in a distorted body-centered cubic geometry to four equivalent Sc2+ and four equivalent B+1.50+ atoms. All Os–B bond lengths are 2.23 Å. There are four inequivalent B+1.50+ sites. In the first B+1.50+ site, B+1.50+ is bonded to six Os2- atoms to form a mixture of distorted edge, face, and corner-sharing BOs6 pentagonal pyramids. In the second B+1.50+ site, B+1.50+ is bonded to six Os2- atoms to form a mixture of distorted edge, face, and corner-sharing BOs6 pentagonal pyramids. In the third B+1.50+ site, B+1.50+ is bonded to six Os2- atoms to form a mixture of distorted edge, face, and corner-sharing BOs6 pentagonal pyramids. In the fourth B+1.50+ site, B+1.50+ is bonded to six Os2- atoms to form a mixture of distorted edge, face, and corner-sharing BOs6 pentagonal pyramids.},
doi = {10.17188/1686493},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}