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Title: Materials Data on LaOF by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1207010· OSTI ID:1207010

LaOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All La–O bond lengths are 2.50 Å. All La–F bond lengths are 2.50 Å. O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with four equivalent FLa4 tetrahedra, corners with twelve equivalent OLa4 tetrahedra, and edges with six equivalent FLa4 tetrahedra. F1- is bonded to four equivalent La3+ atoms to form FLa4 tetrahedra that share corners with four equivalent OLa4 tetrahedra, corners with twelve equivalent FLa4 tetrahedra, and edges with six equivalent OLa4 tetrahedra.

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:
1207010
Report Number(s):
mp-35555
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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