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Title: Materials Data on K2PtC4(BrN2)2 by Materials Project

Abstract

K2Pt(CN)4Br2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent Br1- atoms. There are a spread of K–N bond distances ranging from 2.91–3.39 Å. There are one shorter (3.57 Å) and one longer (3.58 Å) K–Br bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Br1- atoms. There are two shorter (2.01 Å) and two longer (2.02 Å) Pt–C bond lengths. Both Pt–Br bond lengths are 2.53 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. Br1- is bonded in amore » 1-coordinate geometry to two equivalent K1+ and one Pt2- atom.« less

Publication Date:
Other Number(s):
mp-568299
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; K2PtC4(BrN2)2; Br-C-K-N-Pt
OSTI Identifier:
1274349
DOI:
10.17188/1274349

Citation Formats

The Materials Project. Materials Data on K2PtC4(BrN2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274349.
The Materials Project. Materials Data on K2PtC4(BrN2)2 by Materials Project. United States. doi:10.17188/1274349.
The Materials Project. 2020. "Materials Data on K2PtC4(BrN2)2 by Materials Project". United States. doi:10.17188/1274349. https://www.osti.gov/servlets/purl/1274349. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1274349,
title = {Materials Data on K2PtC4(BrN2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Pt(CN)4Br2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent Br1- atoms. There are a spread of K–N bond distances ranging from 2.91–3.39 Å. There are one shorter (3.57 Å) and one longer (3.58 Å) K–Br bond lengths. Pt2- is bonded in an octahedral geometry to four C+3.50+ and two equivalent Br1- atoms. There are two shorter (2.01 Å) and two longer (2.02 Å) Pt–C bond lengths. Both Pt–Br bond lengths are 2.53 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.50+ site, C+3.50+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C+3.50+ atom. Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Pt2- atom.},
doi = {10.17188/1274349},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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