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Title: Materials Data on La3Nb(ClO2)3 by Materials Project

Abstract

La3Nb(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to six equivalent O and four equivalent Cl atoms. There are a spread of La–O bond distances ranging from 2.44–2.70 Å. There are three shorter (3.06 Å) and one longer (3.11 Å) La–Cl bond lengths. Nb is bonded in a distorted pentagonal pyramidal geometry to six equivalent O atoms. All Nb–O bond lengths are 2.02 Å. O is bonded to three equivalent La and one Nb atom to form a mixture of edge and corner-sharing OLa3Nb tetrahedra. Cl is bonded in a see-saw-like geometry to four equivalent La atoms.

Authors:
Publication Date:
Other Number(s):
mp-1211272
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; La3Nb(ClO2)3; Cl-La-Nb-O
OSTI Identifier:
1663036
DOI:
https://doi.org/10.17188/1663036

Citation Formats

The Materials Project. Materials Data on La3Nb(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663036.
The Materials Project. Materials Data on La3Nb(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1663036
The Materials Project. 2020. "Materials Data on La3Nb(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1663036. https://www.osti.gov/servlets/purl/1663036. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1663036,
title = {Materials Data on La3Nb(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {La3Nb(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to six equivalent O and four equivalent Cl atoms. There are a spread of La–O bond distances ranging from 2.44–2.70 Å. There are three shorter (3.06 Å) and one longer (3.11 Å) La–Cl bond lengths. Nb is bonded in a distorted pentagonal pyramidal geometry to six equivalent O atoms. All Nb–O bond lengths are 2.02 Å. O is bonded to three equivalent La and one Nb atom to form a mixture of edge and corner-sharing OLa3Nb tetrahedra. Cl is bonded in a see-saw-like geometry to four equivalent La atoms.},
doi = {10.17188/1663036},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}