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Title: Materials Data on La2Cd(SeO)2 by Materials Project

Abstract

(LaO)2CdSe2 is Bixbyite (Mn,Fe)2O4-derived structured and crystallizes in the tetragonal P4_2mc space group. The structure is two-dimensional and consists of two CdSe2 sheets oriented in the (0, 0, 1) direction and two LaO sheets oriented in the (0, 0, 1) direction. In each CdSe2 sheet, Cd2+ is bonded to four equivalent Se2- atoms to form corner-sharing CdSe4 tetrahedra. All Cd–Se bond lengths are 2.70 Å. Se2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In each LaO sheet, there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. All La–O bond lengths are 2.38 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) La–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.

Publication Date:
Other Number(s):
mp-1211284
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; La2Cd(SeO)2; Cd-La-O-Se
OSTI Identifier:
1651708
DOI:
https://doi.org/10.17188/1651708

Citation Formats

The Materials Project. Materials Data on La2Cd(SeO)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651708.
The Materials Project. Materials Data on La2Cd(SeO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1651708
The Materials Project. 2019. "Materials Data on La2Cd(SeO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1651708. https://www.osti.gov/servlets/purl/1651708. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651708,
title = {Materials Data on La2Cd(SeO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(LaO)2CdSe2 is Bixbyite (Mn,Fe)2O4-derived structured and crystallizes in the tetragonal P4_2mc space group. The structure is two-dimensional and consists of two CdSe2 sheets oriented in the (0, 0, 1) direction and two LaO sheets oriented in the (0, 0, 1) direction. In each CdSe2 sheet, Cd2+ is bonded to four equivalent Se2- atoms to form corner-sharing CdSe4 tetrahedra. All Cd–Se bond lengths are 2.70 Å. Se2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ atoms. In each LaO sheet, there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. All La–O bond lengths are 2.38 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) La–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.},
doi = {10.17188/1651708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}