U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KTb(MoO4)2 by Materials Project
Abstract
KTb(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.75–2.90 Å. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.56 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Tb3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and one Mo6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211409
- 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; KTb(MoO4)2; K-Mo-O-Tb
- OSTI Identifier:
- 1752887
- DOI:
- https://doi.org/10.17188/1752887
Citation Formats
The Materials Project. Materials Data on KTb(MoO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1752887.
The Materials Project. Materials Data on KTb(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752887
The Materials Project. 2020.
"Materials Data on KTb(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752887. https://www.osti.gov/servlets/purl/1752887. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1752887,
title = {Materials Data on KTb(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KTb(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.75–2.90 Å. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.56 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Tb3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent K1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and one Mo6+ atom.},
doi = {10.17188/1752887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}