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Title: Materials Data on TaPS by Materials Project

Abstract

TaPS crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to four equivalent P3- and four equivalent S2- atoms. All Ta–P bond lengths are 2.58 Å. There are two shorter (2.61 Å) and two longer (2.62 Å) Ta–S bond lengths. P3- is bonded in a 6-coordinate geometry to four equivalent Ta5+ and two equivalent P3- atoms. There are one shorter (2.24 Å) and one longer (2.50 Å) P–P bond lengths. S2- is bonded to four equivalent Ta5+ atoms to form a mixture of distorted edge and corner-sharing STa4 tetrahedra.

Publication Date:
Other Number(s):
mp-1077589
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; TaPS; P-S-Ta
OSTI Identifier:
1663672
DOI:
https://doi.org/10.17188/1663672

Citation Formats

The Materials Project. Materials Data on TaPS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663672.
The Materials Project. Materials Data on TaPS by Materials Project. United States. doi:https://doi.org/10.17188/1663672
The Materials Project. 2020. "Materials Data on TaPS by Materials Project". United States. doi:https://doi.org/10.17188/1663672. https://www.osti.gov/servlets/purl/1663672. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1663672,
title = {Materials Data on TaPS by Materials Project},
author = {The Materials Project},
abstractNote = {TaPS crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to four equivalent P3- and four equivalent S2- atoms. All Ta–P bond lengths are 2.58 Å. There are two shorter (2.61 Å) and two longer (2.62 Å) Ta–S bond lengths. P3- is bonded in a 6-coordinate geometry to four equivalent Ta5+ and two equivalent P3- atoms. There are one shorter (2.24 Å) and one longer (2.50 Å) P–P bond lengths. S2- is bonded to four equivalent Ta5+ atoms to form a mixture of distorted edge and corner-sharing STa4 tetrahedra.},
doi = {10.17188/1663672},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}