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Title: Materials Data on Ce2(AgSb)3 by Materials Project

Abstract

Ce2(AgSb)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a linear geometry to one Ag1+ and one Sb3- atom. The Ce–Ag bond length is 3.03 Å. The Ce–Sb bond length is 3.06 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to one Ce3+, four equivalent Ag1+, and one Sb3- atom to form distorted AgCeAg4Sb octahedra that share a cornercorner with one SbCeAgSb4 octahedra, corners with five equivalent AgCeAg4Sb octahedra, edges with four equivalent AgCeAg4Sb octahedra, and edges with four equivalent SbAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Ag bond lengths are 3.02 Å. The Ag–Sb bond length is 2.81 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent Ag1+ and two equivalent Sb3- atoms to form AgAg4Sb2 octahedra that share corners with four equivalent AgAg4Sb2 octahedra, edges with four equivalent AgAg4Sb2 octahedra, and edges with eight equivalent SbCeAgSb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Ag bond lengths are 3.02 Å. Both Ag–Sb bond lengths are 2.73 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to one Ce3+, one Ag1+, andmore » four equivalent Sb3- atoms to form distorted SbCeAgSb4 octahedra that share a cornercorner with one AgCeAg4Sb octahedra, corners with five equivalent SbCeAgSb4 octahedra, edges with four equivalent AgAg4Sb2 octahedra, and edges with four equivalent SbCeAgSb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 3.02 Å. In the second Sb3- site, Sb3- is bonded to two equivalent Ag1+ and four equivalent Sb3- atoms to form SbAg2Sb4 octahedra that share corners with four equivalent SbAg2Sb4 octahedra, edges with four equivalent SbAg2Sb4 octahedra, and edges with eight equivalent AgCeAg4Sb octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 3.02 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1206228
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; Ce2(AgSb)3; Ag-Ce-Sb
OSTI Identifier:
1680737
DOI:
https://doi.org/10.17188/1680737

Citation Formats

The Materials Project. Materials Data on Ce2(AgSb)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680737.
The Materials Project. Materials Data on Ce2(AgSb)3 by Materials Project. United States. doi:https://doi.org/10.17188/1680737
The Materials Project. 2019. "Materials Data on Ce2(AgSb)3 by Materials Project". United States. doi:https://doi.org/10.17188/1680737. https://www.osti.gov/servlets/purl/1680737. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680737,
title = {Materials Data on Ce2(AgSb)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2(AgSb)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a linear geometry to one Ag1+ and one Sb3- atom. The Ce–Ag bond length is 3.03 Å. The Ce–Sb bond length is 3.06 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to one Ce3+, four equivalent Ag1+, and one Sb3- atom to form distorted AgCeAg4Sb octahedra that share a cornercorner with one SbCeAgSb4 octahedra, corners with five equivalent AgCeAg4Sb octahedra, edges with four equivalent AgCeAg4Sb octahedra, and edges with four equivalent SbAg2Sb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Ag bond lengths are 3.02 Å. The Ag–Sb bond length is 2.81 Å. In the second Ag1+ site, Ag1+ is bonded to four equivalent Ag1+ and two equivalent Sb3- atoms to form AgAg4Sb2 octahedra that share corners with four equivalent AgAg4Sb2 octahedra, edges with four equivalent AgAg4Sb2 octahedra, and edges with eight equivalent SbCeAgSb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Ag bond lengths are 3.02 Å. Both Ag–Sb bond lengths are 2.73 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to one Ce3+, one Ag1+, and four equivalent Sb3- atoms to form distorted SbCeAgSb4 octahedra that share a cornercorner with one AgCeAg4Sb octahedra, corners with five equivalent SbCeAgSb4 octahedra, edges with four equivalent AgAg4Sb2 octahedra, and edges with four equivalent SbCeAgSb4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 3.02 Å. In the second Sb3- site, Sb3- is bonded to two equivalent Ag1+ and four equivalent Sb3- atoms to form SbAg2Sb4 octahedra that share corners with four equivalent SbAg2Sb4 octahedra, edges with four equivalent SbAg2Sb4 octahedra, and edges with eight equivalent AgCeAg4Sb octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 3.02 Å.},
doi = {10.17188/1680737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}