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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-975577
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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 = {2020},
month = {7}
}