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Title: Materials Data on Zn2IN by Materials Project

Abstract

Zn2NI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent N3- and three equivalent I1- atoms. There is one shorter (1.95 Å) and one longer (1.96 Å) Zn–N bond length. There are one shorter (2.94 Å) and two longer (3.26 Å) Zn–I bond lengths. In the second Zn2+ site, Zn2+ is bonded in a linear geometry to two equivalent N3- and four equivalent I1- atoms. Both Zn–N bond lengths are 1.92 Å. There are two shorter (3.27 Å) and two longer (3.49 Å) Zn–I bond lengths. N3- is bonded to four Zn2+ atoms to form corner-sharing NZn4 tetrahedra. I1- is bonded in a 1-coordinate geometry to seven Zn2+ atoms.

Publication Date:
Other Number(s):
mp-1188466
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; Zn2IN; I-N-Zn
OSTI Identifier:
1677759
DOI:
https://doi.org/10.17188/1677759

Citation Formats

The Materials Project. Materials Data on Zn2IN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677759.
The Materials Project. Materials Data on Zn2IN by Materials Project. United States. doi:https://doi.org/10.17188/1677759
The Materials Project. 2020. "Materials Data on Zn2IN by Materials Project". United States. doi:https://doi.org/10.17188/1677759. https://www.osti.gov/servlets/purl/1677759. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1677759,
title = {Materials Data on Zn2IN by Materials Project},
author = {The Materials Project},
abstractNote = {Zn2NI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent N3- and three equivalent I1- atoms. There is one shorter (1.95 Å) and one longer (1.96 Å) Zn–N bond length. There are one shorter (2.94 Å) and two longer (3.26 Å) Zn–I bond lengths. In the second Zn2+ site, Zn2+ is bonded in a linear geometry to two equivalent N3- and four equivalent I1- atoms. Both Zn–N bond lengths are 1.92 Å. There are two shorter (3.27 Å) and two longer (3.49 Å) Zn–I bond lengths. N3- is bonded to four Zn2+ atoms to form corner-sharing NZn4 tetrahedra. I1- is bonded in a 1-coordinate geometry to seven Zn2+ atoms.},
doi = {10.17188/1677759},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}