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Title: Materials Data on Ho2TiO5 by Materials Project

Abstract

Ho2TiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.18–2.54 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Ti–O bond distances ranging from 1.96–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ho3+ and one Ti4+ atom. In the third O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Ti4+ atoms to form distorted corner-sharing OHo2Ti2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-754044
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ho2TiO5; Ho-O-Ti
OSTI Identifier:
1289226
DOI:
https://doi.org/10.17188/1289226

Citation Formats

The Materials Project. Materials Data on Ho2TiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289226.
The Materials Project. Materials Data on Ho2TiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1289226
The Materials Project. 2020. "Materials Data on Ho2TiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1289226. https://www.osti.gov/servlets/purl/1289226. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1289226,
title = {Materials Data on Ho2TiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2TiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ho3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.18–2.54 Å. Ti4+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Ti–O bond distances ranging from 1.96–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ho3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ho3+ and one Ti4+ atom. In the third O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Ti4+ atoms to form distorted corner-sharing OHo2Ti2 trigonal pyramids.},
doi = {10.17188/1289226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}