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Title: Materials Data on Zn2FeN2 by Materials Project

Abstract

FeZn2N2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Fe–N bond distances ranging from 1.82–1.89 Å. In the second Fe2+ site, Fe2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There is two shorter (1.84 Å) and one longer (1.90 Å) Fe–N bond length. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are two shorter (2.01 Å) and one longer (2.12 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of Zn–N bond distances ranging from 2.00–2.11 Å. In the third Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 2.00–2.50 Å. In the fourth Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of edge andmore » corner-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 2.00–2.44 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to one Fe2+ and four Zn2+ atoms to form a mixture of distorted edge and corner-sharing NZn4Fe trigonal bipyramids. In the second N3- site, N3- is bonded in a 5-coordinate geometry to one Fe2+ and four Zn2+ atoms. In the third N3- site, N3- is bonded to two Fe2+ and three Zn2+ atoms to form a mixture of edge and corner-sharing NZn3Fe2 trigonal bipyramids. In the fourth N3- site, N3- is bonded to two Fe2+ and three Zn2+ atoms to form a mixture of edge and corner-sharing NZn3Fe2 trigonal bipyramids.« less

Publication Date:
Other Number(s):
mvc-13775
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; Zn2FeN2; Fe-N-Zn
OSTI Identifier:
1318972
DOI:
https://doi.org/10.17188/1318972

Citation Formats

The Materials Project. Materials Data on Zn2FeN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318972.
The Materials Project. Materials Data on Zn2FeN2 by Materials Project. United States. doi:https://doi.org/10.17188/1318972
The Materials Project. 2020. "Materials Data on Zn2FeN2 by Materials Project". United States. doi:https://doi.org/10.17188/1318972. https://www.osti.gov/servlets/purl/1318972. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1318972,
title = {Materials Data on Zn2FeN2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeZn2N2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Fe–N bond distances ranging from 1.82–1.89 Å. In the second Fe2+ site, Fe2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There is two shorter (1.84 Å) and one longer (1.90 Å) Fe–N bond length. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are two shorter (2.01 Å) and one longer (2.12 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of Zn–N bond distances ranging from 2.00–2.11 Å. In the third Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 2.00–2.50 Å. In the fourth Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 2.00–2.44 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to one Fe2+ and four Zn2+ atoms to form a mixture of distorted edge and corner-sharing NZn4Fe trigonal bipyramids. In the second N3- site, N3- is bonded in a 5-coordinate geometry to one Fe2+ and four Zn2+ atoms. In the third N3- site, N3- is bonded to two Fe2+ and three Zn2+ atoms to form a mixture of edge and corner-sharing NZn3Fe2 trigonal bipyramids. In the fourth N3- site, N3- is bonded to two Fe2+ and three Zn2+ atoms to form a mixture of edge and corner-sharing NZn3Fe2 trigonal bipyramids.},
doi = {10.17188/1318972},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}