U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- 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}
}