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Title: Materials Data on Mg2TiN2 by Materials Project

Abstract

Mg2TiN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing MgN5 square pyramids. There are a spread of Mg–N bond distances ranging from 2.21–2.34 Å. In the second Mg2+ site, Mg2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.11–2.24 Å. Ti2+ is bonded in a T-shaped geometry to three N3- atoms. There are a spread of Ti–N bond distances ranging from 1.91–2.11 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Mg2+ and one Ti2+ atom to form a mixture of edge and corner-sharing NMg5Ti octahedra. The corner-sharing octahedra tilt angles range from 2–11°. In the second N3- site, N3- is bonded to four Mg2+ and two equivalent Ti2+ atoms to form a mixture of edge and corner-sharing NMg4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 2–13°.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1319253
Report Number(s):
mvc-14558
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Mg2TiN2; Mg-N-Ti

Citation Formats

The Materials Project. Materials Data on Mg2TiN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319253.
The Materials Project. Materials Data on Mg2TiN2 by Materials Project. United States. https://doi.org/10.17188/1319253
The Materials Project. 2020. "Materials Data on Mg2TiN2 by Materials Project". United States. https://doi.org/10.17188/1319253. https://www.osti.gov/servlets/purl/1319253.
@article{osti_1319253,
title = {Materials Data on Mg2TiN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2TiN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing MgN5 square pyramids. There are a spread of Mg–N bond distances ranging from 2.21–2.34 Å. In the second Mg2+ site, Mg2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.11–2.24 Å. Ti2+ is bonded in a T-shaped geometry to three N3- atoms. There are a spread of Ti–N bond distances ranging from 1.91–2.11 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Mg2+ and one Ti2+ atom to form a mixture of edge and corner-sharing NMg5Ti octahedra. The corner-sharing octahedra tilt angles range from 2–11°. In the second N3- site, N3- is bonded to four Mg2+ and two equivalent Ti2+ atoms to form a mixture of edge and corner-sharing NMg4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 2–13°.},
doi = {10.17188/1319253},
url = {https://www.osti.gov/biblio/1319253}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}