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Title: Materials Data on ZrB4Mo by Materials Project

Abstract

ZrMoB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr4+ is bonded to twelve equivalent B+1.50- atoms to form ZrB12 cuboctahedra that share edges with twelve equivalent MoB12 cuboctahedra, faces with two equivalent MoB12 cuboctahedra, and faces with six equivalent ZrB12 cuboctahedra. All Zr–B bond lengths are 2.52 Å. Mo2+ is bonded to twelve equivalent B+1.50- atoms to form MoB12 cuboctahedra that share edges with twelve equivalent ZrB12 cuboctahedra, faces with two equivalent ZrB12 cuboctahedra, and faces with six equivalent MoB12 cuboctahedra. All Mo–B bond lengths are 2.43 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Zr4+, three equivalent Mo2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.81 Å.

Publication Date:
Other Number(s):
mp-1215250
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; ZrB4Mo; B-Mo-Zr
OSTI Identifier:
1753951
DOI:
https://doi.org/10.17188/1753951

Citation Formats

The Materials Project. Materials Data on ZrB4Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753951.
The Materials Project. Materials Data on ZrB4Mo by Materials Project. United States. doi:https://doi.org/10.17188/1753951
The Materials Project. 2020. "Materials Data on ZrB4Mo by Materials Project". United States. doi:https://doi.org/10.17188/1753951. https://www.osti.gov/servlets/purl/1753951. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753951,
title = {Materials Data on ZrB4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {ZrMoB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr4+ is bonded to twelve equivalent B+1.50- atoms to form ZrB12 cuboctahedra that share edges with twelve equivalent MoB12 cuboctahedra, faces with two equivalent MoB12 cuboctahedra, and faces with six equivalent ZrB12 cuboctahedra. All Zr–B bond lengths are 2.52 Å. Mo2+ is bonded to twelve equivalent B+1.50- atoms to form MoB12 cuboctahedra that share edges with twelve equivalent ZrB12 cuboctahedra, faces with two equivalent ZrB12 cuboctahedra, and faces with six equivalent MoB12 cuboctahedra. All Mo–B bond lengths are 2.43 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Zr4+, three equivalent Mo2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.81 Å.},
doi = {10.17188/1753951},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}