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Title: Materials Data on SnPd3C by Materials Project

Abstract

Pd3SnC is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted linear geometry to four equivalent Sn and two equivalent C atoms. All Pd–Sn bond lengths are 3.01 Å. Both Pd–C bond lengths are 2.13 Å. In the second Pd site, Pd is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Pd–Sn bond lengths are 3.01 Å. Both Pd–C bond lengths are 2.12 Å. Sn is bonded to twelve Pd atoms to form SnPd12 cuboctahedra that share corners with twelve equivalent SnPd12 cuboctahedra, faces with six equivalent SnPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. C is bonded to six Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent SnPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1018636
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; SnPd3C; C-Pd-Sn
OSTI Identifier:
1350354
DOI:
10.17188/1350354

Citation Formats

The Materials Project. Materials Data on SnPd3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350354.
The Materials Project. Materials Data on SnPd3C by Materials Project. United States. doi:10.17188/1350354.
The Materials Project. 2020. "Materials Data on SnPd3C by Materials Project". United States. doi:10.17188/1350354. https://www.osti.gov/servlets/purl/1350354. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1350354,
title = {Materials Data on SnPd3C by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3SnC is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted linear geometry to four equivalent Sn and two equivalent C atoms. All Pd–Sn bond lengths are 3.01 Å. Both Pd–C bond lengths are 2.13 Å. In the second Pd site, Pd is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All Pd–Sn bond lengths are 3.01 Å. Both Pd–C bond lengths are 2.12 Å. Sn is bonded to twelve Pd atoms to form SnPd12 cuboctahedra that share corners with twelve equivalent SnPd12 cuboctahedra, faces with six equivalent SnPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. C is bonded to six Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent SnPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1350354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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