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Title: Materials Data on Y5(Si7Os2)2 by Materials Project

Abstract

Y5(Os2Si7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to two equivalent Os+1.75- and ten Si+0.57- atoms to form a mixture of distorted edge, face, and corner-sharing YSi10Os2 cuboctahedra. There are one shorter (3.16 Å) and one longer (3.17 Å) Y–Os bond lengths. There are a spread of Y–Si bond distances ranging from 2.99–3.20 Å. In the second Y3+ site, Y3+ is bonded to two equivalent Os+1.75- and ten Si+0.57- atoms to form a mixture of distorted edge, face, and corner-sharing YSi10Os2 cuboctahedra. There are one shorter (3.16 Å) and one longer (3.18 Å) Y–Os bond lengths. There are a spread of Y–Si bond distances ranging from 2.98–3.16 Å. In the third Y3+ site, Y3+ is bonded in a 4-coordinate geometry to six Os+1.75- and twelve Si+0.57- atoms. There are a spread of Y–Os bond distances ranging from 3.13–3.21 Å. There are a spread of Y–Si bond distances ranging from 2.99–3.20 Å. There are two inequivalent Os+1.75- sites. In the first Os+1.75- site, Os+1.75- is bonded in a 7-coordinate geometry to two equivalent Y3+ and seven Si+0.57- atoms. There are a spread ofmore » Os–Si bond distances ranging from 2.33–2.59 Å. In the second Os+1.75- site, Os+1.75- is bonded in a 5-coordinate geometry to five Y3+ and five Si+0.57- atoms. There are a spread of Os–Si bond distances ranging from 2.39–2.44 Å. There are seven inequivalent Si+0.57- sites. In the first Si+0.57- site, Si+0.57- is bonded in a 2-coordinate geometry to three Y3+, two Os+1.75-, and three Si+0.57- atoms. There are a spread of Si–Si bond distances ranging from 2.42–2.69 Å. In the second Si+0.57- site, Si+0.57- is bonded in a 1-coordinate geometry to six Y3+, one Os+1.75-, and two Si+0.57- atoms. There are one shorter (2.44 Å) and one longer (2.46 Å) Si–Si bond lengths. In the third Si+0.57- site, Si+0.57- is bonded in a 8-coordinate geometry to six Y3+ and two Si+0.57- atoms. The Si–Si bond length is 2.41 Å. In the fourth Si+0.57- site, Si+0.57- is bonded in a 2-coordinate geometry to three Y3+, two Os+1.75-, and three Si+0.57- atoms. There are one shorter (2.44 Å) and one longer (2.70 Å) Si–Si bond lengths. In the fifth Si+0.57- site, Si+0.57- is bonded in a 2-coordinate geometry to three Y3+, two Os+1.75-, and three Si+0.57- atoms. There are one shorter (2.56 Å) and one longer (2.69 Å) Si–Si bond lengths. In the sixth Si+0.57- site, Si+0.57- is bonded in a 1-coordinate geometry to three Y3+, two Os+1.75-, and three Si+0.57- atoms. The Si–Si bond length is 2.68 Å. In the seventh Si+0.57- site, Si+0.57- is bonded in a 5-coordinate geometry to two equivalent Y3+, three equivalent Os+1.75-, and four Si+0.57- atoms.« less

Publication Date:
Other Number(s):
mp-14686
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; Y5(Si7Os2)2; Os-Si-Y
OSTI Identifier:
1190835
DOI:
https://doi.org/10.17188/1190835

Citation Formats

The Materials Project. Materials Data on Y5(Si7Os2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190835.
The Materials Project. Materials Data on Y5(Si7Os2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1190835
The Materials Project. 2020. "Materials Data on Y5(Si7Os2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1190835. https://www.osti.gov/servlets/purl/1190835. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1190835,
title = {Materials Data on Y5(Si7Os2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y5(Os2Si7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to two equivalent Os+1.75- and ten Si+0.57- atoms to form a mixture of distorted edge, face, and corner-sharing YSi10Os2 cuboctahedra. There are one shorter (3.16 Å) and one longer (3.17 Å) Y–Os bond lengths. There are a spread of Y–Si bond distances ranging from 2.99–3.20 Å. In the second Y3+ site, Y3+ is bonded to two equivalent Os+1.75- and ten Si+0.57- atoms to form a mixture of distorted edge, face, and corner-sharing YSi10Os2 cuboctahedra. There are one shorter (3.16 Å) and one longer (3.18 Å) Y–Os bond lengths. There are a spread of Y–Si bond distances ranging from 2.98–3.16 Å. In the third Y3+ site, Y3+ is bonded in a 4-coordinate geometry to six Os+1.75- and twelve Si+0.57- atoms. There are a spread of Y–Os bond distances ranging from 3.13–3.21 Å. There are a spread of Y–Si bond distances ranging from 2.99–3.20 Å. There are two inequivalent Os+1.75- sites. In the first Os+1.75- site, Os+1.75- is bonded in a 7-coordinate geometry to two equivalent Y3+ and seven Si+0.57- atoms. There are a spread of Os–Si bond distances ranging from 2.33–2.59 Å. In the second Os+1.75- site, Os+1.75- is bonded in a 5-coordinate geometry to five Y3+ and five Si+0.57- atoms. There are a spread of Os–Si bond distances ranging from 2.39–2.44 Å. There are seven inequivalent Si+0.57- sites. In the first Si+0.57- site, Si+0.57- is bonded in a 2-coordinate geometry to three Y3+, two Os+1.75-, and three Si+0.57- atoms. There are a spread of Si–Si bond distances ranging from 2.42–2.69 Å. In the second Si+0.57- site, Si+0.57- is bonded in a 1-coordinate geometry to six Y3+, one Os+1.75-, and two Si+0.57- atoms. There are one shorter (2.44 Å) and one longer (2.46 Å) Si–Si bond lengths. In the third Si+0.57- site, Si+0.57- is bonded in a 8-coordinate geometry to six Y3+ and two Si+0.57- atoms. The Si–Si bond length is 2.41 Å. In the fourth Si+0.57- site, Si+0.57- is bonded in a 2-coordinate geometry to three Y3+, two Os+1.75-, and three Si+0.57- atoms. There are one shorter (2.44 Å) and one longer (2.70 Å) Si–Si bond lengths. In the fifth Si+0.57- site, Si+0.57- is bonded in a 2-coordinate geometry to three Y3+, two Os+1.75-, and three Si+0.57- atoms. There are one shorter (2.56 Å) and one longer (2.69 Å) Si–Si bond lengths. In the sixth Si+0.57- site, Si+0.57- is bonded in a 1-coordinate geometry to three Y3+, two Os+1.75-, and three Si+0.57- atoms. The Si–Si bond length is 2.68 Å. In the seventh Si+0.57- site, Si+0.57- is bonded in a 5-coordinate geometry to two equivalent Y3+, three equivalent Os+1.75-, and four Si+0.57- atoms.},
doi = {10.17188/1190835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}