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Title: Materials Data on SbOF by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316782· OSTI ID:1316782

SbOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sb3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Sb–O bond lengths are 2.30 Å. All Sb–F bond lengths are 2.55 Å. O2- is bonded to four equivalent Sb3+ atoms to form distorted OSb4 tetrahedra that share corners with four equivalent OSb4 tetrahedra, corners with twelve equivalent FSb4 tetrahedra, edges with two equivalent FSb4 tetrahedra, and edges with four equivalent OSb4 tetrahedra. F1- is bonded to four equivalent Sb3+ atoms to form distorted FSb4 tetrahedra that share corners with four equivalent FSb4 tetrahedra, corners with twelve equivalent OSb4 tetrahedra, edges with two equivalent OSb4 tetrahedra, and edges with four equivalent FSb4 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:
1316782
Report Number(s):
mp-989191
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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