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Title: Materials Data on Sb28(Mo3Ru)3 by Materials Project

Abstract

Sb28(Mo3Ru)3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are seven inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.80–2.86 Å. In the second Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.79–2.86 Å. In the third Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.79–2.88 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.80–2.83 Å. In the fifth Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.80–2.83 Å. In the sixth Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.80–2.83 Å. In the seventh Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eightmore » Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.79–2.86 Å. There are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Ru–Sb bond distances ranging from 2.78–2.86 Å. In the second Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Ru–Sb bond distances ranging from 2.78–2.87 Å. In the third Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Ru–Sb bond distances ranging from 2.78–2.87 Å. There are eighteen inequivalent Sb+2.14- sites. In the first Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to one Mo6+, two Ru2+, and four Sb+2.14- atoms. There are a spread of Sb–Sb bond distances ranging from 2.90–3.14 Å. In the second Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to two Mo6+, one Ru2+, and four Sb+2.14- atoms. There are a spread of Sb–Sb bond distances ranging from 2.90–3.13 Å. In the third Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to three Mo6+ and four Sb+2.14- atoms. There are a spread of Sb–Sb bond distances ranging from 3.11–3.13 Å. In the fourth Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to three Mo6+ and four Sb+2.14- atoms. There are one shorter (3.12 Å) and two longer (3.13 Å) Sb–Sb bond lengths. In the fifth Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to two Mo6+, one Ru2+, and four Sb+2.14- atoms. There are one shorter (2.92 Å) and one longer (3.12 Å) Sb–Sb bond lengths. In the sixth Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to three Mo6+ and four Sb+2.14- atoms. There are one shorter (2.92 Å) and one longer (3.11 Å) Sb–Sb bond lengths. In the seventh Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to two Mo6+, one Ru2+, and four Sb+2.14- atoms. The Sb–Sb bond length is 3.12 Å. In the eighth Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to two Mo6+, one Ru2+, and four Sb+2.14- atoms. The Sb–Sb bond length is 3.10 Å. In the ninth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the tenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to four Mo6+ atoms. In the eleventh Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the twelfth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the thirteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to two Mo6+ and two Ru2+ atoms. In the fourteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the fifteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the sixteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the seventeenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the eighteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to four Mo6+ atoms.« less

Publication Date:
Other Number(s):
mp-1219530
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; Sb28(Mo3Ru)3; Mo-Ru-Sb
OSTI Identifier:
1742149
DOI:
https://doi.org/10.17188/1742149

Citation Formats

The Materials Project. Materials Data on Sb28(Mo3Ru)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1742149.
The Materials Project. Materials Data on Sb28(Mo3Ru)3 by Materials Project. United States. doi:https://doi.org/10.17188/1742149
The Materials Project. 2020. "Materials Data on Sb28(Mo3Ru)3 by Materials Project". United States. doi:https://doi.org/10.17188/1742149. https://www.osti.gov/servlets/purl/1742149. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1742149,
title = {Materials Data on Sb28(Mo3Ru)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb28(Mo3Ru)3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are seven inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.80–2.86 Å. In the second Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.79–2.86 Å. In the third Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.79–2.88 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.80–2.83 Å. In the fifth Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.80–2.83 Å. In the sixth Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.80–2.83 Å. In the seventh Mo6+ site, Mo6+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Mo–Sb bond distances ranging from 2.79–2.86 Å. There are three inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Ru–Sb bond distances ranging from 2.78–2.86 Å. In the second Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Ru–Sb bond distances ranging from 2.78–2.87 Å. In the third Ru2+ site, Ru2+ is bonded in a 8-coordinate geometry to eight Sb+2.14- atoms. There are a spread of Ru–Sb bond distances ranging from 2.78–2.87 Å. There are eighteen inequivalent Sb+2.14- sites. In the first Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to one Mo6+, two Ru2+, and four Sb+2.14- atoms. There are a spread of Sb–Sb bond distances ranging from 2.90–3.14 Å. In the second Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to two Mo6+, one Ru2+, and four Sb+2.14- atoms. There are a spread of Sb–Sb bond distances ranging from 2.90–3.13 Å. In the third Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to three Mo6+ and four Sb+2.14- atoms. There are a spread of Sb–Sb bond distances ranging from 3.11–3.13 Å. In the fourth Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to three Mo6+ and four Sb+2.14- atoms. There are one shorter (3.12 Å) and two longer (3.13 Å) Sb–Sb bond lengths. In the fifth Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to two Mo6+, one Ru2+, and four Sb+2.14- atoms. There are one shorter (2.92 Å) and one longer (3.12 Å) Sb–Sb bond lengths. In the sixth Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to three Mo6+ and four Sb+2.14- atoms. There are one shorter (2.92 Å) and one longer (3.11 Å) Sb–Sb bond lengths. In the seventh Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to two Mo6+, one Ru2+, and four Sb+2.14- atoms. The Sb–Sb bond length is 3.12 Å. In the eighth Sb+2.14- site, Sb+2.14- is bonded in a 4-coordinate geometry to two Mo6+, one Ru2+, and four Sb+2.14- atoms. The Sb–Sb bond length is 3.10 Å. In the ninth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the tenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to four Mo6+ atoms. In the eleventh Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the twelfth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the thirteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to two Mo6+ and two Ru2+ atoms. In the fourteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the fifteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the sixteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the seventeenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to three Mo6+ and one Ru2+ atom. In the eighteenth Sb+2.14- site, Sb+2.14- is bonded in a 8-coordinate geometry to four Mo6+ atoms.},
doi = {10.17188/1742149},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}