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Title: Materials Data on DyTmO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1288589· OSTI ID:1288589

TmDyO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedra tilt angles range from 45–48°. There are a spread of Tm–O bond distances ranging from 2.20–2.28 Å. Dy3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.22–2.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Dy3+ atoms to form distorted corner-sharing ODy2Tm2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent Dy3+ atoms.

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:
1288589
Report Number(s):
mp-752435
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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