DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ca2IN by Materials Project

Abstract

Ca2NI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to three equivalent N3- and three equivalent I1- atoms. All Ca–N bond lengths are 2.51 Å. All Ca–I bond lengths are 3.30 Å. N3- is bonded to six equivalent Ca2+ atoms to form edge-sharing NCa6 octahedra. I1- is bonded in a 6-coordinate geometry to six equivalent Ca2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28553
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; Ca2IN; Ca-I-N
OSTI Identifier:
1202655
DOI:
https://doi.org/10.17188/1202655

Citation Formats

The Materials Project. Materials Data on Ca2IN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202655.
The Materials Project. Materials Data on Ca2IN by Materials Project. United States. doi:https://doi.org/10.17188/1202655
The Materials Project. 2020. "Materials Data on Ca2IN by Materials Project". United States. doi:https://doi.org/10.17188/1202655. https://www.osti.gov/servlets/purl/1202655. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1202655,
title = {Materials Data on Ca2IN by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2NI is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to three equivalent N3- and three equivalent I1- atoms. All Ca–N bond lengths are 2.51 Å. All Ca–I bond lengths are 3.30 Å. N3- is bonded to six equivalent Ca2+ atoms to form edge-sharing NCa6 octahedra. I1- is bonded in a 6-coordinate geometry to six equivalent Ca2+ atoms.},
doi = {10.17188/1202655},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}