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Title: Materials Data on Bi3Pt2Pb by Materials Project

Abstract

Pt2PbBi3 is Hausmannite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to one Pb and five Bi atoms to form PtBi5Pb octahedra that share corners with eight equivalent PtBi4Pb2 octahedra, a cornercorner with one PbBiPt3 tetrahedra, corners with five BiPt3Pb tetrahedra, and edges with two equivalent PtBi5Pb octahedra. The corner-sharing octahedra tilt angles range from 55–56°. The Pt–Pb bond length is 2.80 Å. There are one shorter (2.79 Å) and four longer (2.80 Å) Pt–Bi bond lengths. In the second Pt site, Pt is bonded to two equivalent Pb and four Bi atoms to form PtBi4Pb2 octahedra that share corners with eight equivalent PtBi5Pb octahedra, corners with two equivalent PbBiPt3 tetrahedra, corners with four BiPt3Pb tetrahedra, and edges with two equivalent PtBi4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. Both Pt–Pb bond lengths are 2.83 Å. There are two shorter (2.78 Å) and two longer (2.80 Å) Pt–Bi bond lengths. Pb is bonded to three Pt and one Bi atom to form PbBiPt3 tetrahedra that share corners with three PtBi5Pb octahedra, corners with two equivalent PbBiPt3 tetrahedra, corners withmore » eleven BiPt3Pb tetrahedra, and an edgeedge with one BiPt3Pb tetrahedra. The corner-sharing octahedra tilt angles range from 76–78°. The Pb–Bi bond length is 3.10 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded to three Pt and one Pb atom to form BiPt3Pb tetrahedra that share corners with three PtBi5Pb octahedra, corners with three equivalent PbBiPt3 tetrahedra, corners with ten BiPt3Pb tetrahedra, and an edgeedge with one PbBiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–79°. In the second Bi site, Bi is bonded to three Pt and one Bi atom to form distorted BiBiPt3 tetrahedra that share corners with three PtBi5Pb octahedra, corners with four equivalent PbBiPt3 tetrahedra, corners with nine BiPt3Pb tetrahedra, and an edgeedge with one BiBiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 75–79°. The Bi–Bi bond length is 3.12 Å. In the third Bi site, Bi is bonded to three Pt and one Bi atom to form distorted BiBiPt3 tetrahedra that share corners with three PtBi5Pb octahedra, corners with four equivalent PbBiPt3 tetrahedra, corners with nine BiPt3Pb tetrahedra, and an edgeedge with one BiBiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–78°.« less

Publication Date:
Other Number(s):
mp-1227493
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; Bi3Pt2Pb; Bi-Pb-Pt
OSTI Identifier:
1656127
DOI:
https://doi.org/10.17188/1656127

Citation Formats

The Materials Project. Materials Data on Bi3Pt2Pb by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656127.
The Materials Project. Materials Data on Bi3Pt2Pb by Materials Project. United States. doi:https://doi.org/10.17188/1656127
The Materials Project. 2019. "Materials Data on Bi3Pt2Pb by Materials Project". United States. doi:https://doi.org/10.17188/1656127. https://www.osti.gov/servlets/purl/1656127. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1656127,
title = {Materials Data on Bi3Pt2Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Pt2PbBi3 is Hausmannite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to one Pb and five Bi atoms to form PtBi5Pb octahedra that share corners with eight equivalent PtBi4Pb2 octahedra, a cornercorner with one PbBiPt3 tetrahedra, corners with five BiPt3Pb tetrahedra, and edges with two equivalent PtBi5Pb octahedra. The corner-sharing octahedra tilt angles range from 55–56°. The Pt–Pb bond length is 2.80 Å. There are one shorter (2.79 Å) and four longer (2.80 Å) Pt–Bi bond lengths. In the second Pt site, Pt is bonded to two equivalent Pb and four Bi atoms to form PtBi4Pb2 octahedra that share corners with eight equivalent PtBi5Pb octahedra, corners with two equivalent PbBiPt3 tetrahedra, corners with four BiPt3Pb tetrahedra, and edges with two equivalent PtBi4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 55–56°. Both Pt–Pb bond lengths are 2.83 Å. There are two shorter (2.78 Å) and two longer (2.80 Å) Pt–Bi bond lengths. Pb is bonded to three Pt and one Bi atom to form PbBiPt3 tetrahedra that share corners with three PtBi5Pb octahedra, corners with two equivalent PbBiPt3 tetrahedra, corners with eleven BiPt3Pb tetrahedra, and an edgeedge with one BiPt3Pb tetrahedra. The corner-sharing octahedra tilt angles range from 76–78°. The Pb–Bi bond length is 3.10 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded to three Pt and one Pb atom to form BiPt3Pb tetrahedra that share corners with three PtBi5Pb octahedra, corners with three equivalent PbBiPt3 tetrahedra, corners with ten BiPt3Pb tetrahedra, and an edgeedge with one PbBiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–79°. In the second Bi site, Bi is bonded to three Pt and one Bi atom to form distorted BiBiPt3 tetrahedra that share corners with three PtBi5Pb octahedra, corners with four equivalent PbBiPt3 tetrahedra, corners with nine BiPt3Pb tetrahedra, and an edgeedge with one BiBiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 75–79°. The Bi–Bi bond length is 3.12 Å. In the third Bi site, Bi is bonded to three Pt and one Bi atom to form distorted BiBiPt3 tetrahedra that share corners with three PtBi5Pb octahedra, corners with four equivalent PbBiPt3 tetrahedra, corners with nine BiPt3Pb tetrahedra, and an edgeedge with one BiBiPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–78°.},
doi = {10.17188/1656127},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}