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Title: Materials Data on Ti3In4 by Materials Project

Abstract

Ti3In4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four Ti and eight In atoms to form a mixture of face, edge, and corner-sharing TiTi4In8 cuboctahedra. There are two shorter (2.91 Å) and two longer (2.99 Å) Ti–Ti bond lengths. There are four shorter (3.00 Å) and four longer (3.06 Å) Ti–In bond lengths. In the second Ti site, Ti is bonded in a 10-coordinate geometry to six Ti and four In atoms. Both Ti–Ti bond lengths are 2.99 Å. All Ti–In bond lengths are 2.94 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to five Ti and five In atoms. There are a spread of In–In bond distances ranging from 2.99–3.24 Å. In the second In site, In is bonded in a 10-coordinate geometry to five Ti and five In atoms. There are two shorter (3.00 Å) and two longer (3.06 Å) In–Ti bond lengths. There are a spread of In–In bond distances ranging from 2.99–3.24 Å. In the third In site, In is bonded in a 10-coordinate geometry tomore » five Ti and five In atoms. There are two shorter (2.99 Å) and one longer (3.24 Å) In–In bond lengths.« less

Publication Date:
Other Number(s):
mp-20433
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; Ti3In4; In-Ti
OSTI Identifier:
1195555
DOI:
https://doi.org/10.17188/1195555

Citation Formats

The Materials Project. Materials Data on Ti3In4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195555.
The Materials Project. Materials Data on Ti3In4 by Materials Project. United States. doi:https://doi.org/10.17188/1195555
The Materials Project. 2020. "Materials Data on Ti3In4 by Materials Project". United States. doi:https://doi.org/10.17188/1195555. https://www.osti.gov/servlets/purl/1195555. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1195555,
title = {Materials Data on Ti3In4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3In4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four Ti and eight In atoms to form a mixture of face, edge, and corner-sharing TiTi4In8 cuboctahedra. There are two shorter (2.91 Å) and two longer (2.99 Å) Ti–Ti bond lengths. There are four shorter (3.00 Å) and four longer (3.06 Å) Ti–In bond lengths. In the second Ti site, Ti is bonded in a 10-coordinate geometry to six Ti and four In atoms. Both Ti–Ti bond lengths are 2.99 Å. All Ti–In bond lengths are 2.94 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to five Ti and five In atoms. There are a spread of In–In bond distances ranging from 2.99–3.24 Å. In the second In site, In is bonded in a 10-coordinate geometry to five Ti and five In atoms. There are two shorter (3.00 Å) and two longer (3.06 Å) In–Ti bond lengths. There are a spread of In–In bond distances ranging from 2.99–3.24 Å. In the third In site, In is bonded in a 10-coordinate geometry to five Ti and five In atoms. There are two shorter (2.99 Å) and one longer (3.24 Å) In–In bond lengths.},
doi = {10.17188/1195555},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}