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Title: Materials Data on Bi12PtCl12 by Materials Project

Abstract

PtBi7Cl12(Bi)5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of five bismuth molecules and one PtBi7Cl12 cluster. In the PtBi7Cl12 cluster, Pt2- is bonded in an octahedral geometry to six Bi+1.17+ atoms. There are five shorter (2.75 Å) and one longer (2.76 Å) Pt–Bi bond lengths. There are seven inequivalent Bi+1.17+ sites. In the first Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.79–2.83 Å. In the second Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.79–2.84 Å. In the third Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.85 Å. In the fourth Bi+1.17+ site, Bi+1.17+ is bonded in a single-bond geometry to one Cl1- atom. The Bi–Cl bond length is 3.41 Å. In the fifth Bi+1.17+ site, Bi+1.17+more » is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.85 Å. In the sixth Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.80–2.83 Å. In the seventh Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.86 Å. There are twelve inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the seventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the eighth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the tenth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the eleventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the twelfth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to three Bi+1.17+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-582988
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; Bi12PtCl12; Bi-Cl-Pt
OSTI Identifier:
1277023
DOI:
https://doi.org/10.17188/1277023

Citation Formats

The Materials Project. Materials Data on Bi12PtCl12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277023.
The Materials Project. Materials Data on Bi12PtCl12 by Materials Project. United States. doi:https://doi.org/10.17188/1277023
The Materials Project. 2020. "Materials Data on Bi12PtCl12 by Materials Project". United States. doi:https://doi.org/10.17188/1277023. https://www.osti.gov/servlets/purl/1277023. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1277023,
title = {Materials Data on Bi12PtCl12 by Materials Project},
author = {The Materials Project},
abstractNote = {PtBi7Cl12(Bi)5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of five bismuth molecules and one PtBi7Cl12 cluster. In the PtBi7Cl12 cluster, Pt2- is bonded in an octahedral geometry to six Bi+1.17+ atoms. There are five shorter (2.75 Å) and one longer (2.76 Å) Pt–Bi bond lengths. There are seven inequivalent Bi+1.17+ sites. In the first Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.79–2.83 Å. In the second Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.79–2.84 Å. In the third Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.85 Å. In the fourth Bi+1.17+ site, Bi+1.17+ is bonded in a single-bond geometry to one Cl1- atom. The Bi–Cl bond length is 3.41 Å. In the fifth Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.85 Å. In the sixth Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.80–2.83 Å. In the seventh Bi+1.17+ site, Bi+1.17+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of corner and edge-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.78–2.86 Å. There are twelve inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the seventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the eighth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the tenth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the eleventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+1.17+ atoms. In the twelfth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to three Bi+1.17+ atoms.},
doi = {10.17188/1277023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}