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Title: Materials Data on UTiO3 by Materials Project

Abstract

UTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U4+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All U–O bond lengths are 2.77 Å. Ti2+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent U4+ and two equivalent Ti2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1187736
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; UTiO3; O-Ti-U
OSTI Identifier:
1680855
DOI:
https://doi.org/10.17188/1680855

Citation Formats

The Materials Project. Materials Data on UTiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680855.
The Materials Project. Materials Data on UTiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1680855
The Materials Project. 2020. "Materials Data on UTiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1680855. https://www.osti.gov/servlets/purl/1680855. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680855,
title = {Materials Data on UTiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {UTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U4+ is bonded to twelve equivalent O2- atoms to form UO12 cuboctahedra that share corners with twelve equivalent UO12 cuboctahedra, faces with six equivalent UO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All U–O bond lengths are 2.77 Å. Ti2+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent UO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.96 Å. O2- is bonded in a distorted linear geometry to four equivalent U4+ and two equivalent Ti2+ atoms.},
doi = {10.17188/1680855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}