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Title: Materials Data on Yb2TiO5 by Materials Project

Abstract

Yb2TiO5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Yb–O bond distances ranging from 1.83–2.43 Å. In the second Yb3+ site, Yb3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Yb–O bond distances ranging from 1.58–2.40 Å. In the third Yb3+ site, Yb3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Yb–O bond distances ranging from 1.62–2.39 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Yb–O bond distances ranging from 1.82–2.39 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.58–2.15 Å. In the second Ti4+ site, Ti4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.21–2.00 Å. There are ten inequivalent O2- sites.more » In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Yb3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to two Yb3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Yb3+ and one Ti4+ atom. In the tenth O2- site, O2- is bonded in a distorted L-shaped geometry to two Yb3+ atoms.« less

Publication Date:
Other Number(s):
mp-753108
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; Yb2TiO5; O-Ti-Yb
OSTI Identifier:
1288904
DOI:
https://doi.org/10.17188/1288904

Citation Formats

The Materials Project. Materials Data on Yb2TiO5 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1288904.
The Materials Project. Materials Data on Yb2TiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1288904
The Materials Project. 2018. "Materials Data on Yb2TiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1288904. https://www.osti.gov/servlets/purl/1288904. Pub date:Tue Jul 17 00:00:00 EDT 2018
@article{osti_1288904,
title = {Materials Data on Yb2TiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2TiO5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Yb–O bond distances ranging from 1.83–2.43 Å. In the second Yb3+ site, Yb3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Yb–O bond distances ranging from 1.58–2.40 Å. In the third Yb3+ site, Yb3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Yb–O bond distances ranging from 1.62–2.39 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Yb–O bond distances ranging from 1.82–2.39 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.58–2.15 Å. In the second Ti4+ site, Ti4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.21–2.00 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Yb3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to two Yb3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Yb3+ and one Ti4+ atom. In the tenth O2- site, O2- is bonded in a distorted L-shaped geometry to two Yb3+ atoms.},
doi = {10.17188/1288904},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}