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Title: Materials Data on Mo2As3P by Materials Project

Abstract

Mo2As3P crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to seven As3- atoms to form a mixture of distorted face and corner-sharing MoAs7 pentagonal bipyramids. There are a spread of Mo–As bond distances ranging from 2.59–2.77 Å. In the second Mo2+ site, Mo2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Mo–As bond distances ranging from 2.58–2.79 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to five Mo2+ and three equivalent As3- atoms. There are two shorter (2.92 Å) and one longer (2.97 Å) As–As bond lengths. In the second As3- site, As3- is bonded in a 8-coordinate geometry to five Mo2+ and three equivalent As3- atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to three Mo2+ and three equivalent P5+ atoms. There are one shorter (2.38 Å) and two longer (2.73 Å) As–P bond lengths. P5+ is bonded in a 1-coordinate geometry to three equivalent As3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1221513
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; Mo2As3P; As-Mo-P
OSTI Identifier:
1674903
DOI:
https://doi.org/10.17188/1674903

Citation Formats

The Materials Project. Materials Data on Mo2As3P by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674903.
The Materials Project. Materials Data on Mo2As3P by Materials Project. United States. doi:https://doi.org/10.17188/1674903
The Materials Project. 2020. "Materials Data on Mo2As3P by Materials Project". United States. doi:https://doi.org/10.17188/1674903. https://www.osti.gov/servlets/purl/1674903. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1674903,
title = {Materials Data on Mo2As3P by Materials Project},
author = {The Materials Project},
abstractNote = {Mo2As3P crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to seven As3- atoms to form a mixture of distorted face and corner-sharing MoAs7 pentagonal bipyramids. There are a spread of Mo–As bond distances ranging from 2.59–2.77 Å. In the second Mo2+ site, Mo2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Mo–As bond distances ranging from 2.58–2.79 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to five Mo2+ and three equivalent As3- atoms. There are two shorter (2.92 Å) and one longer (2.97 Å) As–As bond lengths. In the second As3- site, As3- is bonded in a 8-coordinate geometry to five Mo2+ and three equivalent As3- atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to three Mo2+ and three equivalent P5+ atoms. There are one shorter (2.38 Å) and two longer (2.73 Å) As–P bond lengths. P5+ is bonded in a 1-coordinate geometry to three equivalent As3- atoms.},
doi = {10.17188/1674903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}