skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TiPb9O11 by Materials Project

Abstract

TiPb9O11 crystallizes in the tetragonal P4 space group. The structure is two-dimensional and consists of one TiPb9O11 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded in a square pyramidal geometry to five O2- atoms. There is one shorter (1.76 Å) and four longer (2.00 Å) Ti–O bond length. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.41 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.95 Å. In the third Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ti4+ and three Pb2+ atoms. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixturemore » of corner and edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and four equivalent Pb2+ atoms.« less

Publication Date:
Other Number(s):
mp-674350
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; TiPb9O11; O-Pb-Ti
OSTI Identifier:
1282468
DOI:
10.17188/1282468

Citation Formats

The Materials Project. Materials Data on TiPb9O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282468.
The Materials Project. Materials Data on TiPb9O11 by Materials Project. United States. doi:10.17188/1282468.
The Materials Project. 2020. "Materials Data on TiPb9O11 by Materials Project". United States. doi:10.17188/1282468. https://www.osti.gov/servlets/purl/1282468. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1282468,
title = {Materials Data on TiPb9O11 by Materials Project},
author = {The Materials Project},
abstractNote = {TiPb9O11 crystallizes in the tetragonal P4 space group. The structure is two-dimensional and consists of one TiPb9O11 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded in a square pyramidal geometry to five O2- atoms. There is one shorter (1.76 Å) and four longer (2.00 Å) Ti–O bond length. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.41 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.95 Å. In the third Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Ti4+ and three Pb2+ atoms. In the second O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Ti4+ and four equivalent Pb2+ atoms.},
doi = {10.17188/1282468},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: