Title: Materials Data on Lu2Ti2O7 by Materials Project

Abstract

Lu2Ti2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.17 Å) and six longer (2.44 Å) Lu–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ti–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Lu3+ atoms to form corner-sharing OLu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two equivalent Ti4+ atoms.

Publication Date:
Other Number(s):
mp-3200
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Lu-O-Ti; Lu2Ti2O7
OSTI Identifier:
1206033
DOI:
https://doi.org/10.17188/1206033

Citation Formats

Materials Data on Lu2Ti2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206033.
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Materials Data on Lu2Ti2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1206033
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2020. "Materials Data on Lu2Ti2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1206033. https://www.osti.gov/servlets/purl/1206033. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1206033,
title = {Materials Data on Lu2Ti2O7 by Materials Project},
abstractNote = {Lu2Ti2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.17 Å) and six longer (2.44 Å) Lu–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ti–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Lu3+ atoms to form corner-sharing OLu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1206033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1206033
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