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Title: Materials Data on SmTlO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1289813· OSTI ID:1289813

SmTlO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent O2- atoms to form edge-sharing SmO6 octahedra. All Sm–O bond lengths are 2.38 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 2.96 Å. O2- is bonded to three equivalent Sm3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge, face, and corner-sharing OSm3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°.

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:
1289813
Report Number(s):
mp-755128
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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