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Title: Materials Data on HoTeClO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1271053· OSTI ID:1271053

HoTeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing HoCl2O5 pentagonal bipyramids. There are a spread of Ho–O bond distances ranging from 2.18–2.37 Å. There are one shorter (2.80 Å) and one longer (2.86 Å) Ho–Cl bond lengths. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.91 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ho3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one Te4+ atom. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ho3+ 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:
1271053
Report Number(s):
mp-559805
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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