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Title: Materials Data on CeSmO2 by Materials Project

Abstract

SmCeO2 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to six O atoms to form SmO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent SmO6 octahedra, edges with four equivalent SmO6 octahedra, and edges with eight CeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Sm–O bond distances ranging from 2.46–2.50 Å. In the second Sm site, Sm is bonded to six O atoms to form SmO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent SmO6 octahedra, edges with four equivalent SmO6 octahedra, and edges with eight CeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Sm–O bond distances ranging from 2.48–2.50 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six O atoms to form CeO6 octahedra that share corners with two equivalent SmO6 octahedra, corners with four equivalent CeO6 octahedra, edges with four equivalent CeO6 octahedra, and edges with eight SmO6 octahedra. The corner-sharing octahedra tilt angles rangemore » from 0–2°. There are a spread of Ce–O bond distances ranging from 2.47–2.51 Å. In the second Ce site, Ce is bonded to six O atoms to form CeO6 octahedra that share corners with two equivalent SmO6 octahedra, corners with four equivalent CeO6 octahedra, edges with four equivalent CeO6 octahedra, and edges with eight SmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ce–O bond distances ranging from 2.48–2.52 Å. There are four inequivalent O sites. In the first O site, O is bonded to three Sm and three Ce atoms to form a mixture of corner and edge-sharing OCe3Sm3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O site, O is bonded to three Sm and three Ce atoms to form a mixture of corner and edge-sharing OCe3Sm3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the third O site, O is bonded to three Sm and three Ce atoms to form a mixture of corner and edge-sharing OCe3Sm3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O is bonded to three Sm and three Ce atoms to form a mixture of corner and edge-sharing OCe3Sm3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.« less

Publication Date:
Other Number(s):
mp-755070
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; CeSmO2; Ce-O-Sm
OSTI Identifier:
1289754
DOI:
10.17188/1289754

Citation Formats

The Materials Project. Materials Data on CeSmO2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1289754.
The Materials Project. Materials Data on CeSmO2 by Materials Project. United States. doi:10.17188/1289754.
The Materials Project. 2014. "Materials Data on CeSmO2 by Materials Project". United States. doi:10.17188/1289754. https://www.osti.gov/servlets/purl/1289754. Pub date:Thu May 08 00:00:00 EDT 2014
@article{osti_1289754,
title = {Materials Data on CeSmO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmCeO2 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to six O atoms to form SmO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent SmO6 octahedra, edges with four equivalent SmO6 octahedra, and edges with eight CeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Sm–O bond distances ranging from 2.46–2.50 Å. In the second Sm site, Sm is bonded to six O atoms to form SmO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent SmO6 octahedra, edges with four equivalent SmO6 octahedra, and edges with eight CeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Sm–O bond distances ranging from 2.48–2.50 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six O atoms to form CeO6 octahedra that share corners with two equivalent SmO6 octahedra, corners with four equivalent CeO6 octahedra, edges with four equivalent CeO6 octahedra, and edges with eight SmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ce–O bond distances ranging from 2.47–2.51 Å. In the second Ce site, Ce is bonded to six O atoms to form CeO6 octahedra that share corners with two equivalent SmO6 octahedra, corners with four equivalent CeO6 octahedra, edges with four equivalent CeO6 octahedra, and edges with eight SmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Ce–O bond distances ranging from 2.48–2.52 Å. There are four inequivalent O sites. In the first O site, O is bonded to three Sm and three Ce atoms to form a mixture of corner and edge-sharing OCe3Sm3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O site, O is bonded to three Sm and three Ce atoms to form a mixture of corner and edge-sharing OCe3Sm3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the third O site, O is bonded to three Sm and three Ce atoms to form a mixture of corner and edge-sharing OCe3Sm3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O is bonded to three Sm and three Ce atoms to form a mixture of corner and edge-sharing OCe3Sm3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.},
doi = {10.17188/1289754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {5}
}

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