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Title: Materials Data on Ti3P by Materials Project

Abstract

Ti3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.52 Å) and one longer (2.56 Å) Ti–P bond lengths. In the second Ti site, Ti is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Ti–P bond distances ranging from 2.55–2.61 Å. In the third Ti site, Ti is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Ti–P bond distances ranging from 2.48–2.63 Å. P is bonded in a 9-coordinate geometry to nine Ti atoms.

Authors:
Publication Date:
Other Number(s):
mp-31214
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; Ti3P; P-Ti
OSTI Identifier:
1205511
DOI:
https://doi.org/10.17188/1205511

Citation Formats

The Materials Project. Materials Data on Ti3P by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205511.
The Materials Project. Materials Data on Ti3P by Materials Project. United States. doi:https://doi.org/10.17188/1205511
The Materials Project. 2020. "Materials Data on Ti3P by Materials Project". United States. doi:https://doi.org/10.17188/1205511. https://www.osti.gov/servlets/purl/1205511. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1205511,
title = {Materials Data on Ti3P by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.52 Å) and one longer (2.56 Å) Ti–P bond lengths. In the second Ti site, Ti is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Ti–P bond distances ranging from 2.55–2.61 Å. In the third Ti site, Ti is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Ti–P bond distances ranging from 2.48–2.63 Å. P is bonded in a 9-coordinate geometry to nine Ti atoms.},
doi = {10.17188/1205511},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}