U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Tb(BO3)2 by Materials Project
Abstract
K3Tb(BO3)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.78–2.82 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.75 Å) and two longer (2.81 Å) K–O bond lengths. Tb3+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.29 Å) and four longer (2.30 Å) Tb–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Tb3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Tb3+, and one B3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211631
- 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; K3Tb(BO3)2; B-K-O-Tb
- OSTI Identifier:
- 1746560
- DOI:
- https://doi.org/10.17188/1746560
Citation Formats
The Materials Project. Materials Data on K3Tb(BO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746560.
The Materials Project. Materials Data on K3Tb(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1746560
The Materials Project. 2020.
"Materials Data on K3Tb(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1746560. https://www.osti.gov/servlets/purl/1746560. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746560,
title = {Materials Data on K3Tb(BO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Tb(BO3)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.78–2.82 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.75 Å) and two longer (2.81 Å) K–O bond lengths. Tb3+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.29 Å) and four longer (2.30 Å) Tb–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.40 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Tb3+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+, one Tb3+, and one B3+ atom.},
doi = {10.17188/1746560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}