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Title: Materials Data on Ti8Bi9 by Materials Project

Abstract

Bi9Ti8 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.97 Å) and four longer (2.99 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to six Bi atoms. There are a spread of Ti–Bi bond distances ranging from 2.83–3.10 Å. In the third Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (3.13 Å) and four longer (3.18 Å) Ti–Bi bond lengths. In the fourth Ti site, Ti is bonded in a 6-coordinate geometry to six Bi atoms. There are two shorter (2.88 Å) and four longer (2.96 Å) Ti–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five Ti atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to seven Ti atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ti atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-640045
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; Ti8Bi9; Bi-Ti
OSTI Identifier:
1279888
DOI:
10.17188/1279888

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti8Bi9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279888.
Persson, Kristin, & Project, Materials. Materials Data on Ti8Bi9 by Materials Project. United States. doi:10.17188/1279888.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti8Bi9 by Materials Project". United States. doi:10.17188/1279888. https://www.osti.gov/servlets/purl/1279888. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1279888,
title = {Materials Data on Ti8Bi9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Bi9Ti8 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.97 Å) and four longer (2.99 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to six Bi atoms. There are a spread of Ti–Bi bond distances ranging from 2.83–3.10 Å. In the third Ti site, Ti is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (3.13 Å) and four longer (3.18 Å) Ti–Bi bond lengths. In the fourth Ti site, Ti is bonded in a 6-coordinate geometry to six Bi atoms. There are two shorter (2.88 Å) and four longer (2.96 Å) Ti–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five Ti atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to seven Ti atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Ti atoms.},
doi = {10.17188/1279888},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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