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Title: Materials Data on Tm3AlN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1350275· OSTI ID:1350275

Tm3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Tm–Al bond lengths are 3.31 Å. Both Tm–N bond lengths are 2.34 Å. Al is bonded to twelve equivalent Tm atoms to form AlTm12 cuboctahedra that share corners with twelve equivalent AlTm12 cuboctahedra, faces with six equivalent AlTm12 cuboctahedra, and faces with eight equivalent NTm6 octahedra. N is bonded to six equivalent Tm atoms to form NTm6 octahedra that share corners with six equivalent NTm6 octahedra and faces with eight equivalent AlTm12 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:
1350275
Report Number(s):
mp-1018641
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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