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Title: Materials Data on Er3AlC by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274184· OSTI ID:1274184

Er3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Er–Al bond lengths are 3.41 Å. Both Er–C bond lengths are 2.41 Å. Al is bonded to twelve equivalent Er atoms to form AlEr12 cuboctahedra that share corners with twelve equivalent AlEr12 cuboctahedra, faces with six equivalent AlEr12 cuboctahedra, and faces with eight equivalent CEr6 octahedra. C is bonded to six equivalent Er atoms to form CEr6 octahedra that share corners with six equivalent CEr6 octahedra and faces with eight equivalent AlEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1274184
Report Number(s):
mp-568021
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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