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Title: Materials Data on SbO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189786· OSTI ID:1189786

SbO2 is Fluorite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a body-centered cubic geometry to eight O atoms. There are six shorter (2.17 Å) and two longer (2.29 Å) Sb–O bond lengths. In the second Sb site, Sb is bonded in a body-centered cubic geometry to eight O atoms. There are two shorter (2.29 Å) and six longer (2.43 Å) Sb–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded to four equivalent Sb atoms to form a mixture of edge and corner-sharing OSb4 tetrahedra. In the second O site, O is bonded to four equivalent Sb atoms to form a mixture of edge and corner-sharing OSb4 tetrahedra. In the third O site, O is bonded to four Sb atoms to form a mixture of edge and corner-sharing OSb4 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:
1189786
Report Number(s):
mp-13866
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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