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Title: Materials Data on Ba2HoMoO6 by Materials Project

Abstract

Ba2HoMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent HoO6 octahedra, and faces with four equivalent MoO6 octahedra. All Ba–O bond lengths are 3.00 Å. Ho3+ is bonded to six equivalent O2- atoms to form HoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–O bond lengths are 2.24 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent HoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ho3+, and one Mo5+ atom.

Publication Date:
Other Number(s):
mp-1205837
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; Ba2HoMoO6; Ba-Ho-Mo-O
OSTI Identifier:
1747043
DOI:
https://doi.org/10.17188/1747043

Citation Formats

The Materials Project. Materials Data on Ba2HoMoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747043.
The Materials Project. Materials Data on Ba2HoMoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1747043
The Materials Project. 2020. "Materials Data on Ba2HoMoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1747043. https://www.osti.gov/servlets/purl/1747043. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1747043,
title = {Materials Data on Ba2HoMoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2HoMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent HoO6 octahedra, and faces with four equivalent MoO6 octahedra. All Ba–O bond lengths are 3.00 Å. Ho3+ is bonded to six equivalent O2- atoms to form HoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–O bond lengths are 2.24 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent HoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ho3+, and one Mo5+ atom.},
doi = {10.17188/1747043},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}