U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PtBr3N2 by Materials Project
Abstract
PtN2Br3 crystallizes in the orthorhombic Fddd space group. The structure is one-dimensional and consists of sixteen PtN2Br3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a square co-planar geometry to two equivalent N1- and two equivalent Br1- atoms. Both Pt–N bond lengths are 1.88 Å. Both Pt–Br bond lengths are 2.46 Å. In the second Pt5+ site, Pt5+ is bonded in a square co-planar geometry to two equivalent N1- and two equivalent Br1- atoms. Both Pt–N bond lengths are 1.89 Å. Both Pt–Br bond lengths are 2.45 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Br1- atom. The N–Br bond length is 1.87 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Br1- atom. The N–Br bond length is 1.87 Å. There are three 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-bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212107
- 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:
- 1679881
- DOI:
- https://doi.org/10.17188/1679881
Citation Formats
The Materials Project. Materials Data on PtBr3N2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1679881.
The Materials Project. Materials Data on PtBr3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1679881
The Materials Project. 2019.
"Materials Data on PtBr3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1679881. https://www.osti.gov/servlets/purl/1679881. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1679881,
title = {Materials Data on PtBr3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {PtN2Br3 crystallizes in the orthorhombic Fddd space group. The structure is one-dimensional and consists of sixteen PtN2Br3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a square co-planar geometry to two equivalent N1- and two equivalent Br1- atoms. Both Pt–N bond lengths are 1.88 Å. Both Pt–Br bond lengths are 2.46 Å. In the second Pt5+ site, Pt5+ is bonded in a square co-planar geometry to two equivalent N1- and two equivalent Br1- atoms. Both Pt–N bond lengths are 1.89 Å. Both Pt–Br bond lengths are 2.45 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Br1- atom. The N–Br bond length is 1.87 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Br1- atom. The N–Br bond length is 1.87 Å. There are three 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 an L-shaped geometry to two N1- atoms.},
doi = {10.17188/1679881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}