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Title: Materials Data on MgPa3 by Materials Project

Abstract

MgPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Pa atoms to form MgPa12 cuboctahedra that share corners with four equivalent MgPa12 cuboctahedra, corners with eight equivalent PaMg4Pa8 cuboctahedra, edges with eight equivalent MgPa12 cuboctahedra, edges with sixteen equivalent PaMg4Pa8 cuboctahedra, faces with four equivalent MgPa12 cuboctahedra, and faces with fourteen PaMg4Pa8 cuboctahedra. All Mg–Pa bond lengths are 3.24 Å. There are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Mg and eight equivalent Pa atoms to form PaMg4Pa8 cuboctahedra that share corners with four equivalent PaMg4Pa8 cuboctahedra, corners with eight equivalent MgPa12 cuboctahedra, edges with twenty-four PaMg4Pa8 cuboctahedra, faces with six equivalent MgPa12 cuboctahedra, and faces with twelve PaMg4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.24 Å. In the second Pa site, Pa is bonded to four equivalent Mg and eight Pa atoms to form PaMg4Pa8 cuboctahedra that share corners with twelve equivalent PaMg4Pa8 cuboctahedra, edges with eight equivalent MgPa12 cuboctahedra, edges with sixteen PaMg4Pa8 cuboctahedra, faces with four equivalent MgPa12 cuboctahedra, and faces with fourteen PaMg4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.24 Å.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1315322
Report Number(s):
mp-976742
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; MgPa3; Mg-Pa

Citation Formats

The Materials Project. Materials Data on MgPa3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315322.
The Materials Project. Materials Data on MgPa3 by Materials Project. United States. https://doi.org/10.17188/1315322
The Materials Project. 2020. "Materials Data on MgPa3 by Materials Project". United States. https://doi.org/10.17188/1315322. https://www.osti.gov/servlets/purl/1315322.
@article{osti_1315322,
title = {Materials Data on MgPa3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Pa atoms to form MgPa12 cuboctahedra that share corners with four equivalent MgPa12 cuboctahedra, corners with eight equivalent PaMg4Pa8 cuboctahedra, edges with eight equivalent MgPa12 cuboctahedra, edges with sixteen equivalent PaMg4Pa8 cuboctahedra, faces with four equivalent MgPa12 cuboctahedra, and faces with fourteen PaMg4Pa8 cuboctahedra. All Mg–Pa bond lengths are 3.24 Å. There are two inequivalent Pa sites. In the first Pa site, Pa is bonded to four equivalent Mg and eight equivalent Pa atoms to form PaMg4Pa8 cuboctahedra that share corners with four equivalent PaMg4Pa8 cuboctahedra, corners with eight equivalent MgPa12 cuboctahedra, edges with twenty-four PaMg4Pa8 cuboctahedra, faces with six equivalent MgPa12 cuboctahedra, and faces with twelve PaMg4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.24 Å. In the second Pa site, Pa is bonded to four equivalent Mg and eight Pa atoms to form PaMg4Pa8 cuboctahedra that share corners with twelve equivalent PaMg4Pa8 cuboctahedra, edges with eight equivalent MgPa12 cuboctahedra, edges with sixteen PaMg4Pa8 cuboctahedra, faces with four equivalent MgPa12 cuboctahedra, and faces with fourteen PaMg4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.24 Å.},
doi = {10.17188/1315322},
url = {https://www.osti.gov/biblio/1315322}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}