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Title: Materials Data on PtBr3N2 by Materials Project

Abstract

Pt(NBr)2Pt(NBr2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Pt(NBr)2 clusters and two Pt(NBr2)2 clusters. In each Pt(NBr)2 cluster, Pt5+ is bonded in a distorted trigonal planar geometry to two N1- and one Br1- atom. There is one shorter (1.71 Å) and one longer (1.84 Å) Pt–N bond length. The Pt–Br bond length is 2.41 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Br1- atom. The N–Br bond length is 1.77 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one N1- atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Pt5+ atom. In each Pt(NBr2)2 cluster, Pt5+ is bonded in a distorted octahedral geometry to two N1- and four Br1- atoms. There is one shorter (1.85 Å) and one longer (2.03 Å) Pt–N bond length. There are a spread of Pt–Br bond distances ranging from 2.48–2.54 Å. There aremore » two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1179984
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; PtBr3N2; Br-N-Pt
OSTI Identifier:
1666617
DOI:
https://doi.org/10.17188/1666617

Citation Formats

The Materials Project. Materials Data on PtBr3N2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666617.
The Materials Project. Materials Data on PtBr3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1666617
The Materials Project. 2019. "Materials Data on PtBr3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1666617. https://www.osti.gov/servlets/purl/1666617. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1666617,
title = {Materials Data on PtBr3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt(NBr)2Pt(NBr2)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Pt(NBr)2 clusters and two Pt(NBr2)2 clusters. In each Pt(NBr)2 cluster, Pt5+ is bonded in a distorted trigonal planar geometry to two N1- and one Br1- atom. There is one shorter (1.71 Å) and one longer (1.84 Å) Pt–N bond length. The Pt–Br bond length is 2.41 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Br1- atom. The N–Br bond length is 1.77 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one N1- atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Pt5+ atom. In each Pt(NBr2)2 cluster, Pt5+ is bonded in a distorted octahedral geometry to two N1- and four Br1- atoms. There is one shorter (1.85 Å) and one longer (2.03 Å) Pt–N bond length. There are a spread of Pt–Br bond distances ranging from 2.48–2.54 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom.},
doi = {10.17188/1666617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}