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Title: Materials Data on Ti5P3 by Materials Project

Abstract

Ti5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.86 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.65 Å. In the third Ti site, Ti is bonded to five P atoms to form distorted edge-sharing TiP5 square pyramids. There are three shorter (2.55 Å) and two longer (2.58 Å) Ti–P bond lengths. In the fourth Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.66 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 7-coordinate geometry to seven Ti atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Ti atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-680570
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; Ti5P3; P-Ti
OSTI Identifier:
1283676
DOI:
10.17188/1283676

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti5P3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283676.
Persson, Kristin, & Project, Materials. Materials Data on Ti5P3 by Materials Project. United States. doi:10.17188/1283676.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti5P3 by Materials Project". United States. doi:10.17188/1283676. https://www.osti.gov/servlets/purl/1283676. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1283676,
title = {Materials Data on Ti5P3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ti5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.86 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.65 Å. In the third Ti site, Ti is bonded to five P atoms to form distorted edge-sharing TiP5 square pyramids. There are three shorter (2.55 Å) and two longer (2.58 Å) Ti–P bond lengths. In the fourth Ti site, Ti is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Ti–P bond distances ranging from 2.39–2.66 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 7-coordinate geometry to seven Ti atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Ti atoms.},
doi = {10.17188/1283676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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