U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3La(AsO4)2 by Materials Project
Abstract
K3La(AsO4)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.24 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.38 Å. In the third K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.20 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.93 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.74 Å. In the second As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are eight inequivalent O2- sites. In the first O2- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-975577
- 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; K3La(AsO4)2; As-K-La-O
- OSTI Identifier:
- 1314825
- DOI:
- https://doi.org/10.17188/1314825
Citation Formats
The Materials Project. Materials Data on K3La(AsO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314825.
The Materials Project. Materials Data on K3La(AsO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1314825
The Materials Project. 2020.
"Materials Data on K3La(AsO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1314825. https://www.osti.gov/servlets/purl/1314825. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314825,
title = {Materials Data on K3La(AsO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K3La(AsO4)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.24 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.38 Å. In the third K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.20 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.93 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.74 Å. In the second As5+ site, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two equivalent La3+, and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one La3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one La3+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one La3+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one La3+, and one As5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to four K1+, one La3+, and one As5+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one La3+, and one As5+ atom.},
doi = {10.17188/1314825},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}