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Title: Materials Data on Ca(InN)2 by Materials Project

Abstract

Ca(InN)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ca(InN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent N3- atoms to form edge-sharing CaN6 octahedra. All Ca–N bond lengths are 2.51 Å. In2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- atoms. All In–N bond lengths are 2.28 Å. N3- is bonded to three equivalent Ca2+ and three equivalent In2+ atoms to form a mixture of edge and corner-sharing NCa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1029479
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; Ca(InN)2; Ca-In-N
OSTI Identifier:
1734256
DOI:
https://doi.org/10.17188/1734256

Citation Formats

The Materials Project. Materials Data on Ca(InN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734256.
The Materials Project. Materials Data on Ca(InN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1734256
The Materials Project. 2020. "Materials Data on Ca(InN)2 by Materials Project". United States. doi:https://doi.org/10.17188/1734256. https://www.osti.gov/servlets/purl/1734256. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1734256,
title = {Materials Data on Ca(InN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(InN)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ca(InN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent N3- atoms to form edge-sharing CaN6 octahedra. All Ca–N bond lengths are 2.51 Å. In2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- atoms. All In–N bond lengths are 2.28 Å. N3- is bonded to three equivalent Ca2+ and three equivalent In2+ atoms to form a mixture of edge and corner-sharing NCa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1734256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}