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Title: Materials Data on Ti3Nb by Materials Project

Abstract

Ti3Nb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to twelve Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.82–3.24 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to seven Ti and three equivalent Nb atoms. All Ti–Ti bond lengths are 2.90 Å. There are two shorter (2.84 Å) and one longer (3.01 Å) Ti–Nb bond lengths. Nb is bonded in a 12-coordinate geometry to six equivalent Ti and four equivalent Nb atoms. All Nb–Nb bond lengths are 2.90 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1217091
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; Ti3Nb; Nb-Ti
OSTI Identifier:
1666528
DOI:
10.17188/1666528

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti3Nb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666528.
Persson, Kristin, & Project, Materials. Materials Data on Ti3Nb by Materials Project. United States. doi:10.17188/1666528.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti3Nb by Materials Project". United States. doi:10.17188/1666528. https://www.osti.gov/servlets/purl/1666528. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1666528,
title = {Materials Data on Ti3Nb by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ti3Nb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to twelve Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.82–3.24 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to seven Ti and three equivalent Nb atoms. All Ti–Ti bond lengths are 2.90 Å. There are two shorter (2.84 Å) and one longer (3.01 Å) Ti–Nb bond lengths. Nb is bonded in a 12-coordinate geometry to six equivalent Ti and four equivalent Nb atoms. All Nb–Nb bond lengths are 2.90 Å.},
doi = {10.17188/1666528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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