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Title: Materials Data on Na3La9B8O27 by Materials Project

Abstract

Na3La9O3(BO3)8 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.68 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.47–2.72 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.76 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.40 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, threemore » La3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, two equivalent La3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one B3+ atom. In the fourth O2- site, O2- is bonded to four La3+ atoms to form distorted corner-sharing OLa4 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-6760
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; Na3La9B8O27; B-La-Na-O
OSTI Identifier:
1282005
DOI:
10.17188/1282005

Citation Formats

The Materials Project. Materials Data on Na3La9B8O27 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282005.
The Materials Project. Materials Data on Na3La9B8O27 by Materials Project. United States. doi:10.17188/1282005.
The Materials Project. 2020. "Materials Data on Na3La9B8O27 by Materials Project". United States. doi:10.17188/1282005. https://www.osti.gov/servlets/purl/1282005. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1282005,
title = {Materials Data on Na3La9B8O27 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3La9O3(BO3)8 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.68 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.47–2.72 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.76 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.40 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, three La3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+, two equivalent La3+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one B3+ atom. In the fourth O2- site, O2- is bonded to four La3+ atoms to form distorted corner-sharing OLa4 trigonal pyramids.},
doi = {10.17188/1282005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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