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Title: Materials Data on TiZnN2 by Materials Project

Abstract

TiZnN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ti4+ is bonded to four N3- atoms to form TiN4 tetrahedra that share corners with four equivalent TiN4 tetrahedra and corners with eight equivalent ZnN4 tetrahedra. There is two shorter (1.93 Å) and two longer (1.94 Å) Ti–N bond length. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with four equivalent ZnN4 tetrahedra and corners with eight equivalent TiN4 tetrahedra. There are two shorter (2.06 Å) and two longer (2.07 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Ti4+ and two equivalent Zn2+ atoms to form corner-sharing NTi2Zn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Ti4+ and two equivalent Zn2+ atoms to form corner-sharing NTi2Zn2 tetrahedra.

Publication Date:
Other Number(s):
mp-1016108
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; TiZnN2; N-Ti-Zn
OSTI Identifier:
1340058
DOI:
10.17188/1340058

Citation Formats

The Materials Project. Materials Data on TiZnN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1340058.
The Materials Project. Materials Data on TiZnN2 by Materials Project. United States. doi:10.17188/1340058.
The Materials Project. 2020. "Materials Data on TiZnN2 by Materials Project". United States. doi:10.17188/1340058. https://www.osti.gov/servlets/purl/1340058. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1340058,
title = {Materials Data on TiZnN2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiZnN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ti4+ is bonded to four N3- atoms to form TiN4 tetrahedra that share corners with four equivalent TiN4 tetrahedra and corners with eight equivalent ZnN4 tetrahedra. There is two shorter (1.93 Å) and two longer (1.94 Å) Ti–N bond length. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with four equivalent ZnN4 tetrahedra and corners with eight equivalent TiN4 tetrahedra. There are two shorter (2.06 Å) and two longer (2.07 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Ti4+ and two equivalent Zn2+ atoms to form corner-sharing NTi2Zn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Ti4+ and two equivalent Zn2+ atoms to form corner-sharing NTi2Zn2 tetrahedra.},
doi = {10.17188/1340058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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