U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLaMoO5 by Materials Project
Abstract
KLaMoO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to twelve O2- atoms. There are four shorter (2.95 Å) and eight longer (3.39 Å) K–O bond lengths. La3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All La–O bond lengths are 2.52 Å. Mo6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (1.91 Å) Mo–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+, two equivalent La3+, and one Mo6+ atom.
- Publication Date:
- Other Number(s):
- mp-1147623
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; K-La-Mo-O; KLaMoO5
- OSTI Identifier:
- 1752818
- DOI:
- https://doi.org/10.17188/1752818
Citation Formats
Materials Data on KLaMoO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1752818.
Materials Data on KLaMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1752818
2020.
"Materials Data on KLaMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1752818. https://www.osti.gov/servlets/purl/1752818. Pub date:Tue Apr 28 20:00:00 EDT 2020
@article{osti_1752818,
title = {Materials Data on KLaMoO5 by Materials Project},
abstractNote = {KLaMoO5 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a distorted square co-planar geometry to twelve O2- atoms. There are four shorter (2.95 Å) and eight longer (3.39 Å) K–O bond lengths. La3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All La–O bond lengths are 2.52 Å. Mo6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (1.91 Å) Mo–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+, two equivalent La3+, and one Mo6+ atom.},
doi = {10.17188/1752818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}