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Title: Materials Data on TiNF by Materials Project

Abstract

TiNF crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TiNF sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to four equivalent N3- and two equivalent F1- atoms to form a mixture of edge and corner-sharing TiN4F2 octahedra. The corner-sharing octahedral tilt angles are 20°. All Ti–N bond lengths are 2.01 Å. Both Ti–F bond lengths are 2.04 Å. N3- is bonded to four equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing NTi4 trigonal pyramids. F1- is bonded in a water-like geometry to two equivalent Ti4+ atoms.

Publication Date:
Other Number(s):
mp-1071956
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; TiNF; F-N-Ti
OSTI Identifier:
1744809
DOI:
https://doi.org/10.17188/1744809

Citation Formats

The Materials Project. Materials Data on TiNF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744809.
The Materials Project. Materials Data on TiNF by Materials Project. United States. doi:https://doi.org/10.17188/1744809
The Materials Project. 2020. "Materials Data on TiNF by Materials Project". United States. doi:https://doi.org/10.17188/1744809. https://www.osti.gov/servlets/purl/1744809. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1744809,
title = {Materials Data on TiNF by Materials Project},
author = {The Materials Project},
abstractNote = {TiNF crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one TiNF sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to four equivalent N3- and two equivalent F1- atoms to form a mixture of edge and corner-sharing TiN4F2 octahedra. The corner-sharing octahedral tilt angles are 20°. All Ti–N bond lengths are 2.01 Å. Both Ti–F bond lengths are 2.04 Å. N3- is bonded to four equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing NTi4 trigonal pyramids. F1- is bonded in a water-like geometry to two equivalent Ti4+ atoms.},
doi = {10.17188/1744809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}