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Title: Materials Data on Th3O2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1310732· OSTI ID:1310732

Th3O2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Th is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. There are two shorter (2.54 Å) and two longer (2.64 Å) Th–O bond lengths. O is bonded to six equivalent Th atoms to form a mixture of corner, edge, and face-sharing OTh6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°.

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:
1310732
Report Number(s):
mp-865439
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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