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Title: Materials Data on La8Te3SeO8 by Materials Project

Abstract

La8Te3SeO8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.55 Å. All La–O bond lengths are 2.39 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the fourth La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.58 Å. All La–O bond lengths are 2.38 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight La3+ atoms. In the second Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight equivalent La3+more » atoms. Se2- is bonded in a body-centered cubic geometry to eight equivalent La3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1223117
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; La8Te3SeO8; La-O-Se-Te
OSTI Identifier:
1751121
DOI:
https://doi.org/10.17188/1751121

Citation Formats

The Materials Project. Materials Data on La8Te3SeO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751121.
The Materials Project. Materials Data on La8Te3SeO8 by Materials Project. United States. doi:https://doi.org/10.17188/1751121
The Materials Project. 2020. "Materials Data on La8Te3SeO8 by Materials Project". United States. doi:https://doi.org/10.17188/1751121. https://www.osti.gov/servlets/purl/1751121. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751121,
title = {Materials Data on La8Te3SeO8 by Materials Project},
author = {The Materials Project},
abstractNote = {La8Te3SeO8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All La–Se bond lengths are 3.55 Å. All La–O bond lengths are 2.39 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the third La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.57 Å. All La–O bond lengths are 2.38 Å. In the fourth La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All La–Te bond lengths are 3.58 Å. All La–O bond lengths are 2.38 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight La3+ atoms. In the second Te2- site, Te2- is bonded in a distorted body-centered cubic geometry to eight equivalent La3+ atoms. Se2- is bonded in a body-centered cubic geometry to eight equivalent La3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.},
doi = {10.17188/1751121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}