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Title: Materials Data on CrP8W3 by Materials Project

Abstract

W3CrP8 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a 8-coordinate geometry to eight P1- atoms. There are a spread of W–P bond distances ranging from 2.48–2.65 Å. In the second W2+ site, W2+ is bonded in a 8-coordinate geometry to eight P1- atoms. There are a spread of W–P bond distances ranging from 2.49–2.64 Å. In the third W2+ site, W2+ is bonded in a 8-coordinate geometry to eight P1- atoms. There are a spread of W–P bond distances ranging from 2.48–2.59 Å. Cr2+ is bonded in a 8-coordinate geometry to eight P1- atoms. There are a spread of Cr–P bond distances ranging from 2.35–2.53 Å. There are eight inequivalent P1- sites. In the first P1- site, P1- is bonded in a 5-coordinate geometry to two equivalent W2+ and three equivalent Cr2+ atoms. In the second P1- site, P1- is bonded in a 5-coordinate geometry to five W2+ atoms. In the third P1- site, P1- is bonded in a 5-coordinate geometry to five W2+ atoms. In the fourth P1- site, P1- is bonded in a 5-coordinatemore » geometry to three equivalent W2+ and two equivalent Cr2+ atoms. In the fifth P1- site, P1- is bonded in a 4-coordinate geometry to one W2+, two equivalent Cr2+, and three equivalent P1- atoms. There are one shorter (2.22 Å) and two longer (2.59 Å) P–P bond lengths. In the sixth P1- site, P1- is bonded in a 4-coordinate geometry to three W2+ and three equivalent P1- atoms. There are one shorter (2.18 Å) and two longer (2.63 Å) P–P bond lengths. In the seventh P1- site, P1- is bonded in a 4-coordinate geometry to two equivalent W2+, one Cr2+, and three equivalent P1- atoms. In the eighth P1- site, P1- is bonded in a 4-coordinate geometry to three W2+ and three equivalent P1- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226193
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; CrP8W3; Cr-P-W
OSTI Identifier:
1688190
DOI:
https://doi.org/10.17188/1688190

Citation Formats

The Materials Project. Materials Data on CrP8W3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688190.
The Materials Project. Materials Data on CrP8W3 by Materials Project. United States. doi:https://doi.org/10.17188/1688190
The Materials Project. 2020. "Materials Data on CrP8W3 by Materials Project". United States. doi:https://doi.org/10.17188/1688190. https://www.osti.gov/servlets/purl/1688190. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1688190,
title = {Materials Data on CrP8W3 by Materials Project},
author = {The Materials Project},
abstractNote = {W3CrP8 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a 8-coordinate geometry to eight P1- atoms. There are a spread of W–P bond distances ranging from 2.48–2.65 Å. In the second W2+ site, W2+ is bonded in a 8-coordinate geometry to eight P1- atoms. There are a spread of W–P bond distances ranging from 2.49–2.64 Å. In the third W2+ site, W2+ is bonded in a 8-coordinate geometry to eight P1- atoms. There are a spread of W–P bond distances ranging from 2.48–2.59 Å. Cr2+ is bonded in a 8-coordinate geometry to eight P1- atoms. There are a spread of Cr–P bond distances ranging from 2.35–2.53 Å. There are eight inequivalent P1- sites. In the first P1- site, P1- is bonded in a 5-coordinate geometry to two equivalent W2+ and three equivalent Cr2+ atoms. In the second P1- site, P1- is bonded in a 5-coordinate geometry to five W2+ atoms. In the third P1- site, P1- is bonded in a 5-coordinate geometry to five W2+ atoms. In the fourth P1- site, P1- is bonded in a 5-coordinate geometry to three equivalent W2+ and two equivalent Cr2+ atoms. In the fifth P1- site, P1- is bonded in a 4-coordinate geometry to one W2+, two equivalent Cr2+, and three equivalent P1- atoms. There are one shorter (2.22 Å) and two longer (2.59 Å) P–P bond lengths. In the sixth P1- site, P1- is bonded in a 4-coordinate geometry to three W2+ and three equivalent P1- atoms. There are one shorter (2.18 Å) and two longer (2.63 Å) P–P bond lengths. In the seventh P1- site, P1- is bonded in a 4-coordinate geometry to two equivalent W2+, one Cr2+, and three equivalent P1- atoms. In the eighth P1- site, P1- is bonded in a 4-coordinate geometry to three W2+ and three equivalent P1- atoms.},
doi = {10.17188/1688190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}