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Materials Data on Ho2(SO4)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1298585· OSTI ID:1298585
Ho2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.22 Å) and three longer (2.24 Å) Ho–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 23–26°. All S–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ho3+ and one S6+ atom.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1298585
Report Number(s):
mp-768978
Country of Publication:
United States
Language:
English

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