Materials Data on TmSb(PbO3)2 by Materials Project
Abstract
TmSb(PbO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Tm–O bond distances ranging from 2.22–2.24 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–3.03 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Sb–O bond distances ranging from 2.01–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, three equivalent Pb2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, two equivalent Pb2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, two equivalent Pb2+, and one Sb5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-865526
- 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; TmSb(PbO3)2; O-Pb-Sb-Tm
- OSTI Identifier:
- 1310805
- DOI:
- https://doi.org/10.17188/1310805
Citation Formats
The Materials Project. Materials Data on TmSb(PbO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1310805.
The Materials Project. Materials Data on TmSb(PbO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1310805
The Materials Project. 2020.
"Materials Data on TmSb(PbO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1310805. https://www.osti.gov/servlets/purl/1310805. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1310805,
title = {Materials Data on TmSb(PbO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TmSb(PbO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Tm–O bond distances ranging from 2.22–2.24 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–3.03 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent TmO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Sb–O bond distances ranging from 2.01–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, three equivalent Pb2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, two equivalent Pb2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tm3+, two equivalent Pb2+, and one Sb5+ atom.},
doi = {10.17188/1310805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}