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Title: Materials Data on Tc3P by Materials Project

Abstract

Tc3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded in a 4-coordinate geometry to four equivalent P5+ atoms. There are three shorter (2.47 Å) and one longer (2.51 Å) Tc–P bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded in a distorted water-like geometry to two equivalent P5+ atoms. There are one shorter (2.53 Å) and one longer (2.56 Å) Tc–P bond lengths. In the third Tc+1.67- site, Tc+1.67- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Tc–P bond lengths. P5+ is bonded in a 8-coordinate geometry to eight Tc+1.67- atoms.

Authors:
Publication Date:
Other Number(s):
mp-17449
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; Tc3P; P-Tc
OSTI Identifier:
1192512
DOI:
https://doi.org/10.17188/1192512

Citation Formats

The Materials Project. Materials Data on Tc3P by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192512.
The Materials Project. Materials Data on Tc3P by Materials Project. United States. doi:https://doi.org/10.17188/1192512
The Materials Project. 2020. "Materials Data on Tc3P by Materials Project". United States. doi:https://doi.org/10.17188/1192512. https://www.osti.gov/servlets/purl/1192512. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1192512,
title = {Materials Data on Tc3P by Materials Project},
author = {The Materials Project},
abstractNote = {Tc3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded in a 4-coordinate geometry to four equivalent P5+ atoms. There are three shorter (2.47 Å) and one longer (2.51 Å) Tc–P bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded in a distorted water-like geometry to two equivalent P5+ atoms. There are one shorter (2.53 Å) and one longer (2.56 Å) Tc–P bond lengths. In the third Tc+1.67- site, Tc+1.67- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Tc–P bond lengths. P5+ is bonded in a 8-coordinate geometry to eight Tc+1.67- atoms.},
doi = {10.17188/1192512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}