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Title: Materials Data on Lu3TlC by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1187222· OSTI ID:1187222

Lu3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Lu–Tl bond lengths are 3.38 Å. Both Lu–C bond lengths are 2.39 Å. Tl is bonded to twelve equivalent Lu atoms to form TlLu12 cuboctahedra that share corners with twelve equivalent TlLu12 cuboctahedra, faces with six equivalent TlLu12 cuboctahedra, and faces with eight equivalent CLu6 octahedra. C is bonded to six equivalent Lu atoms to form CLu6 octahedra that share corners with six equivalent CLu6 octahedra and faces with eight equivalent TlLu12 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:
1187222
Report Number(s):
mp-10607
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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