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Title: Materials Data on Ti5Sb3 by Materials Project

Abstract

Ti5Sb3 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 Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.72–2.97 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.76–2.95 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are three shorter (2.80 Å) and two longer (2.82 Å) Ti–Sb bond lengths. In the fourth Ti site, Ti is bonded to six Sb atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Ti–Sb bond distances ranging from 2.75–2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Ti atoms.

Publication Date:
Other Number(s):
mp-22033
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; Ti5Sb3; Sb-Ti
OSTI Identifier:
1197303
DOI:
https://doi.org/10.17188/1197303

Citation Formats

The Materials Project. Materials Data on Ti5Sb3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1197303.
The Materials Project. Materials Data on Ti5Sb3 by Materials Project. United States. doi:https://doi.org/10.17188/1197303
The Materials Project. 2019. "Materials Data on Ti5Sb3 by Materials Project". United States. doi:https://doi.org/10.17188/1197303. https://www.osti.gov/servlets/purl/1197303. Pub date:Thu Jun 06 00:00:00 EDT 2019
@article{osti_1197303,
title = {Materials Data on Ti5Sb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti5Sb3 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 Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.72–2.97 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Ti–Sb bond distances ranging from 2.76–2.95 Å. In the third Ti site, Ti is bonded in a 5-coordinate geometry to five Sb atoms. There are three shorter (2.80 Å) and two longer (2.82 Å) Ti–Sb bond lengths. In the fourth Ti site, Ti is bonded to six Sb atoms to form distorted corner-sharing TiSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–47°. There are a spread of Ti–Sb bond distances ranging from 2.75–2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Ti atoms. In the second Sb site, Sb is bonded in a 9-coordinate geometry to nine Ti atoms.},
doi = {10.17188/1197303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}