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Title: Materials Data on SrTcN3 by Materials Project

Abstract

SrTcN3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten N3- atoms. There are a spread of Sr–N bond distances ranging from 2.64–3.07 Å. Tc7+ is bonded to four N3- atoms to form corner-sharing TcN4 tetrahedra. There is two shorter (1.88 Å) and two longer (1.95 Å) Tc–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Tc7+, and one N3- atom. The N–N bond length is 1.27 Å. In the second N3- site, N3- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Tc7+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-989546
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; SrTcN3; N-Sr-Tc
OSTI Identifier:
1316845
DOI:
https://doi.org/10.17188/1316845

Citation Formats

The Materials Project. Materials Data on SrTcN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316845.
The Materials Project. Materials Data on SrTcN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316845
The Materials Project. 2020. "Materials Data on SrTcN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316845. https://www.osti.gov/servlets/purl/1316845. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316845,
title = {Materials Data on SrTcN3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrTcN3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten N3- atoms. There are a spread of Sr–N bond distances ranging from 2.64–3.07 Å. Tc7+ is bonded to four N3- atoms to form corner-sharing TcN4 tetrahedra. There is two shorter (1.88 Å) and two longer (1.95 Å) Tc–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Tc7+, and one N3- atom. The N–N bond length is 1.27 Å. In the second N3- site, N3- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Tc7+ atoms.},
doi = {10.17188/1316845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}