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Title: Materials Data on Pr3AlC by Materials Project

Abstract

Pr3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Pr–Al bond lengths are 3.63 Å. Both Pr–C bond lengths are 2.57 Å. Al is bonded to twelve equivalent Pr atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent AlPr12 cuboctahedra, faces with six equivalent AlPr12 cuboctahedra, and faces with eight equivalent CPr6 octahedra. C is bonded to six equivalent Pr atoms to form CPr6 octahedra that share corners with six equivalent CPr6 octahedra and faces with eight equivalent AlPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-10039
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; Pr3AlC; Al-C-Pr
OSTI Identifier:
1185071
DOI:
https://doi.org/10.17188/1185071

Citation Formats

The Materials Project. Materials Data on Pr3AlC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1185071.
The Materials Project. Materials Data on Pr3AlC by Materials Project. United States. doi:https://doi.org/10.17188/1185071
The Materials Project. 2020. "Materials Data on Pr3AlC by Materials Project". United States. doi:https://doi.org/10.17188/1185071. https://www.osti.gov/servlets/purl/1185071. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1185071,
title = {Materials Data on Pr3AlC by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Pr–Al bond lengths are 3.63 Å. Both Pr–C bond lengths are 2.57 Å. Al is bonded to twelve equivalent Pr atoms to form AlPr12 cuboctahedra that share corners with twelve equivalent AlPr12 cuboctahedra, faces with six equivalent AlPr12 cuboctahedra, and faces with eight equivalent CPr6 octahedra. C is bonded to six equivalent Pr atoms to form CPr6 octahedra that share corners with six equivalent CPr6 octahedra and faces with eight equivalent AlPr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1185071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}