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Title: Materials Data on PtBr3 by Materials Project

Abstract

PtBr3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Br atoms to form PtBr6 octahedra that share a cornercorner with one PtBr5 square pyramid and edges with two equivalent PtBr6 octahedra. There are a spread of Pt–Br bond distances ranging from 2.47–2.61 Å. In the second Pt site, Pt is bonded to five Br atoms to form PtBr5 square pyramids that share a cornercorner with one PtBr6 octahedra and corners with four equivalent PtBr5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are a spread of Pt–Br bond distances ranging from 2.47–3.05 Å. There are six inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two Pt atoms. In the second Br site, Br is bonded in a single-bond geometry to one Pt atom. In the third Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fourth Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to twomore » equivalent Pt atoms. In the sixth Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms.« less

Publication Date:
Other Number(s):
mp-23165
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; PtBr3; Br-Pt
OSTI Identifier:
1199286
DOI:
https://doi.org/10.17188/1199286

Citation Formats

The Materials Project. Materials Data on PtBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199286.
The Materials Project. Materials Data on PtBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1199286
The Materials Project. 2020. "Materials Data on PtBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1199286. https://www.osti.gov/servlets/purl/1199286. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1199286,
title = {Materials Data on PtBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {PtBr3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Br atoms to form PtBr6 octahedra that share a cornercorner with one PtBr5 square pyramid and edges with two equivalent PtBr6 octahedra. There are a spread of Pt–Br bond distances ranging from 2.47–2.61 Å. In the second Pt site, Pt is bonded to five Br atoms to form PtBr5 square pyramids that share a cornercorner with one PtBr6 octahedra and corners with four equivalent PtBr5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are a spread of Pt–Br bond distances ranging from 2.47–3.05 Å. There are six inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two Pt atoms. In the second Br site, Br is bonded in a single-bond geometry to one Pt atom. In the third Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fourth Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms. In the sixth Br site, Br is bonded in an L-shaped geometry to two equivalent Pt atoms.},
doi = {10.17188/1199286},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}