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Title: Materials Data on Th3(SbAs)2 by Materials Project

Abstract

Th3(SbAs)2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Th4+ is bonded to four equivalent Sb3- and four equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing ThSb4As4 hexagonal bipyramids. There are two shorter (3.18 Å) and two longer (3.28 Å) Th–Sb bond lengths. There are two shorter (3.12 Å) and two longer (3.14 Å) Th–As bond lengths. Sb3- is bonded in a 6-coordinate geometry to six equivalent Th4+ atoms. As3- is bonded to six equivalent Th4+ atoms to form a mixture of face and corner-sharing AsTh6 octahedra. The corner-sharing octahedra tilt angles range from 22–46°.

Publication Date:
Other Number(s):
mp-1217386
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; Th3(SbAs)2; As-Sb-Th
OSTI Identifier:
1724890
DOI:
https://doi.org/10.17188/1724890

Citation Formats

The Materials Project. Materials Data on Th3(SbAs)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724890.
The Materials Project. Materials Data on Th3(SbAs)2 by Materials Project. United States. doi:https://doi.org/10.17188/1724890
The Materials Project. 2020. "Materials Data on Th3(SbAs)2 by Materials Project". United States. doi:https://doi.org/10.17188/1724890. https://www.osti.gov/servlets/purl/1724890. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1724890,
title = {Materials Data on Th3(SbAs)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Th3(SbAs)2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Th4+ is bonded to four equivalent Sb3- and four equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing ThSb4As4 hexagonal bipyramids. There are two shorter (3.18 Å) and two longer (3.28 Å) Th–Sb bond lengths. There are two shorter (3.12 Å) and two longer (3.14 Å) Th–As bond lengths. Sb3- is bonded in a 6-coordinate geometry to six equivalent Th4+ atoms. As3- is bonded to six equivalent Th4+ atoms to form a mixture of face and corner-sharing AsTh6 octahedra. The corner-sharing octahedra tilt angles range from 22–46°.},
doi = {10.17188/1724890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}