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Title: Materials Data on PtCl3 by Materials Project

Abstract

PtCl3 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 Cl atoms to form PtCl6 octahedra that share a cornercorner with one PtCl5 square pyramid and edges with two equivalent PtCl6 octahedra. There are a spread of Pt–Cl bond distances ranging from 2.31–2.46 Å. In the second Pt site, Pt is bonded to five Cl atoms to form PtCl5 square pyramids that share a cornercorner with one PtCl6 octahedra and corners with four equivalent PtCl5 square pyramids. The corner-sharing octahedral tilt angles are 3°. There are four shorter (2.33 Å) and one longer (2.95 Å) Pt–Cl bond lengths. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the second Cl site, Cl is bonded in a linear geometry to two Pt atoms. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fifth Cl site, Cl is bonded in an L-shaped geometrymore » to two equivalent Pt atoms. In the sixth Cl site, Cl is bonded in a water-like geometry to two equivalent Pt atoms.« less

Publication Date:
Other Number(s):
mp-31134
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; PtCl3; Cl-Pt
OSTI Identifier:
1205449
DOI:
https://doi.org/10.17188/1205449

Citation Formats

The Materials Project. Materials Data on PtCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205449.
The Materials Project. Materials Data on PtCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1205449
The Materials Project. 2020. "Materials Data on PtCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1205449. https://www.osti.gov/servlets/purl/1205449. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1205449,
title = {Materials Data on PtCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {PtCl3 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 Cl atoms to form PtCl6 octahedra that share a cornercorner with one PtCl5 square pyramid and edges with two equivalent PtCl6 octahedra. There are a spread of Pt–Cl bond distances ranging from 2.31–2.46 Å. In the second Pt site, Pt is bonded to five Cl atoms to form PtCl5 square pyramids that share a cornercorner with one PtCl6 octahedra and corners with four equivalent PtCl5 square pyramids. The corner-sharing octahedral tilt angles are 3°. There are four shorter (2.33 Å) and one longer (2.95 Å) Pt–Cl bond lengths. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the second Cl site, Cl is bonded in a linear geometry to two Pt atoms. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the fifth Cl site, Cl is bonded in an L-shaped geometry to two equivalent Pt atoms. In the sixth Cl site, Cl is bonded in a water-like geometry to two equivalent Pt atoms.},
doi = {10.17188/1205449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}