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Title: Materials Data on ThSO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1282238· OSTI ID:1282238

ThOS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are one shorter (2.97 Å) and four longer (3.02 Å) Th–S bond lengths. All Th–O bond lengths are 2.41 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Th4+ atoms. O2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing OTh4 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:
1282238
Report Number(s):
mp-8136
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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