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Title: Materials Data on Pt(IN)2 by Materials Project

Abstract

Pt(NI)2 crystallizes in the tetragonal P4/mnc space group. The structure is one-dimensional and consists of two Pt(NI)2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded to two equivalent Pt2+ and four equivalent I1- atoms to form corner-sharing PtPt2I4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Pt–Pt bond lengths are 2.48 Å. All Pt–I bond lengths are 2.64 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to two equivalent Pt2+ and four equivalent N atoms. All Pt–N bond lengths are 2.04 Å. N is bonded in a 1-coordinate geometry to one Pt2+ and two equivalent I1- atoms. Both N–I bond lengths are 2.55 Å. I1- is bonded in a distorted T-shaped geometry to one Pt2+ and two equivalent N atoms.

Publication Date:
Other Number(s):
mp-1209519
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; Pt(IN)2; I-N-Pt
OSTI Identifier:
1662341
DOI:
https://doi.org/10.17188/1662341

Citation Formats

The Materials Project. Materials Data on Pt(IN)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662341.
The Materials Project. Materials Data on Pt(IN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662341
The Materials Project. 2019. "Materials Data on Pt(IN)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662341. https://www.osti.gov/servlets/purl/1662341. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1662341,
title = {Materials Data on Pt(IN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt(NI)2 crystallizes in the tetragonal P4/mnc space group. The structure is one-dimensional and consists of two Pt(NI)2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded to two equivalent Pt2+ and four equivalent I1- atoms to form corner-sharing PtPt2I4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Pt–Pt bond lengths are 2.48 Å. All Pt–I bond lengths are 2.64 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to two equivalent Pt2+ and four equivalent N atoms. All Pt–N bond lengths are 2.04 Å. N is bonded in a 1-coordinate geometry to one Pt2+ and two equivalent I1- atoms. Both N–I bond lengths are 2.55 Å. I1- is bonded in a distorted T-shaped geometry to one Pt2+ and two equivalent N atoms.},
doi = {10.17188/1662341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}