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Title: Materials Data on Ti5Nb5Ge6 by Materials Project

Abstract

Ti5Nb5Ge6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.58–2.84 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.59–2.84 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.59–2.86 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.72–2.75 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.63–2.84 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Ti and five Nb atoms. In the second Ge site, Ge is bonded in a 9-coordinatemore » geometry to four Ti and five Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to three Ti and six Nb atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Ti and four equivalent Nb atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1217195
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; Ti5Nb5Ge6; Ge-Nb-Ti
OSTI Identifier:
1690924
DOI:
https://doi.org/10.17188/1690924

Citation Formats

The Materials Project. Materials Data on Ti5Nb5Ge6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1690924.
The Materials Project. Materials Data on Ti5Nb5Ge6 by Materials Project. United States. doi:https://doi.org/10.17188/1690924
The Materials Project. 2020. "Materials Data on Ti5Nb5Ge6 by Materials Project". United States. doi:https://doi.org/10.17188/1690924. https://www.osti.gov/servlets/purl/1690924. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1690924,
title = {Materials Data on Ti5Nb5Ge6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti5Nb5Ge6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.58–2.84 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.59–2.84 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.59–2.86 Å. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.72–2.75 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.63–2.84 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Ti and five Nb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Ti and five Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to three Ti and six Nb atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Ti and four equivalent Nb atoms.},
doi = {10.17188/1690924},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}