U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn(ZnN)2 by Materials Project
Abstract
Mn(ZnN)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Mn–N bond distances ranging from 1.87–1.97 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There is two shorter (1.87 Å) and one longer (1.96 Å) Mn–N bond length. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three N3- atoms. There are two shorter (2.02 Å) and one longer (2.10 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three N3- atoms. There are two shorter (2.02 Å) and one longer (2.10 Å) Zn–N bond lengths. In the third Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 1.97–2.54 Å. In the fourth Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture ofmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-13664
- 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; Mn(ZnN)2; Mn-N-Zn
- OSTI Identifier:
- 1318942
- DOI:
- https://doi.org/10.17188/1318942
Citation Formats
The Materials Project. Materials Data on Mn(ZnN)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318942.
The Materials Project. Materials Data on Mn(ZnN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1318942
The Materials Project. 2020.
"Materials Data on Mn(ZnN)2 by Materials Project". United States. doi:https://doi.org/10.17188/1318942. https://www.osti.gov/servlets/purl/1318942. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318942,
title = {Materials Data on Mn(ZnN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(ZnN)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Mn–N bond distances ranging from 1.87–1.97 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There is two shorter (1.87 Å) and one longer (1.96 Å) Mn–N bond length. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three N3- atoms. There are two shorter (2.02 Å) and one longer (2.10 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three N3- atoms. There are two shorter (2.02 Å) and one longer (2.10 Å) Zn–N bond lengths. In the third Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 1.97–2.54 Å. In the fourth Zn2+ site, Zn2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing ZnN4 trigonal pyramids. There are a spread of Zn–N bond distances ranging from 1.97–2.55 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to one Mn2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to one Mn2+ and four Zn2+ atoms. In the third N3- site, N3- is bonded to two Mn2+ and three Zn2+ atoms to form a mixture of corner and edge-sharing NMn2Zn3 trigonal bipyramids. In the fourth N3- site, N3- is bonded to two Mn2+ and three Zn2+ atoms to form a mixture of corner and edge-sharing NMn2Zn3 trigonal bipyramids.},
doi = {10.17188/1318942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}