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Title: Materials Data on ZrMoP by Materials Project

Abstract

ZrMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Mo and five P atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Zr–Mo bond lengths. There are four shorter (2.73 Å) and one longer (2.82 Å) Zr–P bond lengths. Mo is bonded in a 10-coordinate geometry to six equivalent Zr and four P atoms. There are two shorter (2.46 Å) and two longer (2.65 Å) Mo–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Mo atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Mo atoms.

Authors:
Publication Date:
Other Number(s):
mp-10300
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; ZrMoP; Mo-P-Zr
OSTI Identifier:
1186948
DOI:
https://doi.org/10.17188/1186948

Citation Formats

The Materials Project. Materials Data on ZrMoP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186948.
The Materials Project. Materials Data on ZrMoP by Materials Project. United States. doi:https://doi.org/10.17188/1186948
The Materials Project. 2020. "Materials Data on ZrMoP by Materials Project". United States. doi:https://doi.org/10.17188/1186948. https://www.osti.gov/servlets/purl/1186948. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1186948,
title = {Materials Data on ZrMoP by Materials Project},
author = {The Materials Project},
abstractNote = {ZrMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Mo and five P atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Zr–Mo bond lengths. There are four shorter (2.73 Å) and one longer (2.82 Å) Zr–P bond lengths. Mo is bonded in a 10-coordinate geometry to six equivalent Zr and four P atoms. There are two shorter (2.46 Å) and two longer (2.65 Å) Mo–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Mo atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Mo atoms.},
doi = {10.17188/1186948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}