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Title: Materials Data on La2SiSeO4 by Materials Project

Abstract

La2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both La–Se bond lengths are 3.22 Å. There are a spread of La–O bond distances ranging from 2.52–2.57 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (3.03 Å) and one longer (3.21 Å) La–Se bond lengths. There are a spread of La–O bond distances ranging from 2.53–2.63 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 1-coordinate geometry to four La3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-17834
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; La2SiSeO4; La-O-Se-Si
OSTI Identifier:
1192722
DOI:
https://doi.org/10.17188/1192722

Citation Formats

The Materials Project. Materials Data on La2SiSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192722.
The Materials Project. Materials Data on La2SiSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192722
The Materials Project. 2020. "Materials Data on La2SiSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192722. https://www.osti.gov/servlets/purl/1192722. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1192722,
title = {Materials Data on La2SiSeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {La2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both La–Se bond lengths are 3.22 Å. There are a spread of La–O bond distances ranging from 2.52–2.57 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (3.03 Å) and one longer (3.21 Å) La–Se bond lengths. There are a spread of La–O bond distances ranging from 2.53–2.63 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. Se2- is bonded in a 1-coordinate geometry to four La3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom.},
doi = {10.17188/1192722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}