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Title: Materials Data on TiMoP2 by Materials Project

Abstract

TiMoP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent P3- atoms to form TiP6 octahedra that share corners with twelve equivalent MoP6 octahedra, edges with six equivalent TiP6 octahedra, and faces with two equivalent MoP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ti–P bond lengths are 2.48 Å. Mo2+ is bonded to six equivalent P3- atoms to form MoP6 octahedra that share corners with twelve equivalent TiP6 octahedra, edges with six equivalent MoP6 octahedra, and faces with two equivalent TiP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Mo–P bond lengths are 2.48 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Ti4+ and three equivalent Mo2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1216678
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; TiMoP2; Mo-P-Ti
OSTI Identifier:
1672693
DOI:
10.17188/1672693

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TiMoP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672693.
Persson, Kristin, & Project, Materials. Materials Data on TiMoP2 by Materials Project. United States. doi:10.17188/1672693.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TiMoP2 by Materials Project". United States. doi:10.17188/1672693. https://www.osti.gov/servlets/purl/1672693. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672693,
title = {Materials Data on TiMoP2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TiMoP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent P3- atoms to form TiP6 octahedra that share corners with twelve equivalent MoP6 octahedra, edges with six equivalent TiP6 octahedra, and faces with two equivalent MoP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ti–P bond lengths are 2.48 Å. Mo2+ is bonded to six equivalent P3- atoms to form MoP6 octahedra that share corners with twelve equivalent TiP6 octahedra, edges with six equivalent MoP6 octahedra, and faces with two equivalent TiP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Mo–P bond lengths are 2.48 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Ti4+ and three equivalent Mo2+ atoms.},
doi = {10.17188/1672693},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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