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Title: Materials Data on Bi6PtCl10 by Materials Project

Abstract

PtBi6Cl10 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two PtBi6Cl10 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in an octahedral geometry to six Bi2+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.73–2.77 Å. In the second Pt2- site, Pt2- is bonded in an octahedral geometry to six Bi2+ atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Pt–Bi bond lengths. There are seven inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.71–3.13 Å. In the second Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.68–3.18 Å. In the third Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing BiPtCl4 square pyramids. There aremore » two shorter (2.64 Å) and two longer (3.33 Å) Bi–Cl bond lengths. In the fourth Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.69–3.01 Å. In the fifth Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.76–2.96 Å. In the sixth Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.73–3.11 Å. In the seventh Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are two shorter (2.76 Å) and two longer (2.83 Å) Bi–Cl bond lengths. There are eleven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the second Cl1- site, Cl1- is bonded in a see-saw-like geometry to four Bi2+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Bi2+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the seventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the eighth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the tenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Bi2+ atoms. In the eleventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Bi2+ atoms.« less

Publication Date:
Other Number(s):
mp-570417
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; Bi6PtCl10; Bi-Cl-Pt
OSTI Identifier:
1275677
DOI:
10.17188/1275677

Citation Formats

The Materials Project. Materials Data on Bi6PtCl10 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1275677.
The Materials Project. Materials Data on Bi6PtCl10 by Materials Project. United States. doi:10.17188/1275677.
The Materials Project. 2014. "Materials Data on Bi6PtCl10 by Materials Project". United States. doi:10.17188/1275677. https://www.osti.gov/servlets/purl/1275677. Pub date:Thu Mar 20 00:00:00 EDT 2014
@article{osti_1275677,
title = {Materials Data on Bi6PtCl10 by Materials Project},
author = {The Materials Project},
abstractNote = {PtBi6Cl10 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two PtBi6Cl10 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in an octahedral geometry to six Bi2+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.73–2.77 Å. In the second Pt2- site, Pt2- is bonded in an octahedral geometry to six Bi2+ atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Pt–Bi bond lengths. There are seven inequivalent Bi2+ sites. In the first Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.71–3.13 Å. In the second Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.68–3.18 Å. In the third Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing BiPtCl4 square pyramids. There are two shorter (2.64 Å) and two longer (3.33 Å) Bi–Cl bond lengths. In the fourth Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.69–3.01 Å. In the fifth Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.76–2.96 Å. In the sixth Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are a spread of Bi–Cl bond distances ranging from 2.73–3.11 Å. In the seventh Bi2+ site, Bi2+ is bonded to one Pt2- and four Cl1- atoms to form a mixture of edge and corner-sharing BiPtCl4 square pyramids. There are two shorter (2.76 Å) and two longer (2.83 Å) Bi–Cl bond lengths. There are eleven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the second Cl1- site, Cl1- is bonded in a see-saw-like geometry to four Bi2+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Bi2+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the sixth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the seventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the eighth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi2+ atoms. In the tenth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Bi2+ atoms. In the eleventh Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Bi2+ atoms.},
doi = {10.17188/1275677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {3}
}

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