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Title: Materials Data on Sb2MoSe by Materials Project

Abstract

MoSb2Se crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to three Sb2- and three Se2- atoms. There are a spread of Mo–Sb bond distances ranging from 2.84–2.88 Å. There are two shorter (2.51 Å) and one longer (2.53 Å) Mo–Se bond lengths. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to three Sb2- and three Se2- atoms. There are two shorter (2.84 Å) and one longer (2.87 Å) Mo–Sb bond lengths. There are two shorter (2.51 Å) and one longer (2.53 Å) Mo–Se bond lengths. There are four inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a distorted T-shaped geometry to three Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 2.90–2.94 Å. In the second Sb2- site, Sb2- is bonded in a distorted T-shaped geometry to three Sb2- atoms. The Sb–Sb bond length is 2.92 Å. In the third Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 3.28–3.31 Å.more » In the fourth Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. The Sb–Sb bond length is 3.32 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Mo6+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-29912
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sb2MoSe; Mo-Sb-Se
OSTI Identifier:
1204342
DOI:
https://doi.org/10.17188/1204342

Citation Formats

The Materials Project. Materials Data on Sb2MoSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204342.
The Materials Project. Materials Data on Sb2MoSe by Materials Project. United States. doi:https://doi.org/10.17188/1204342
The Materials Project. 2020. "Materials Data on Sb2MoSe by Materials Project". United States. doi:https://doi.org/10.17188/1204342. https://www.osti.gov/servlets/purl/1204342. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204342,
title = {Materials Data on Sb2MoSe by Materials Project},
author = {The Materials Project},
abstractNote = {MoSb2Se crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to three Sb2- and three Se2- atoms. There are a spread of Mo–Sb bond distances ranging from 2.84–2.88 Å. There are two shorter (2.51 Å) and one longer (2.53 Å) Mo–Se bond lengths. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to three Sb2- and three Se2- atoms. There are two shorter (2.84 Å) and one longer (2.87 Å) Mo–Sb bond lengths. There are two shorter (2.51 Å) and one longer (2.53 Å) Mo–Se bond lengths. There are four inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a distorted T-shaped geometry to three Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 2.90–2.94 Å. In the second Sb2- site, Sb2- is bonded in a distorted T-shaped geometry to three Sb2- atoms. The Sb–Sb bond length is 2.92 Å. In the third Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 3.28–3.31 Å. In the fourth Sb2- site, Sb2- is bonded in a 4-coordinate geometry to three Mo6+ and five Sb2- atoms. The Sb–Sb bond length is 3.32 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Mo6+ atoms.},
doi = {10.17188/1204342},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}