U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm5SbPd2 by Materials Project
Abstract
Tm5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted TmSb2Pd4 octahedra that share corners with six equivalent TmSb2Pd4 octahedra, corners with sixteen equivalent TmSb2Pd3 trigonal bipyramids, and faces with eight equivalent TmSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Tm–Pd bond lengths are 2.96 Å. Both Tm–Sb bond lengths are 3.41 Å. In the second Tm site, Tm is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted TmSb2Pd3 trigonal bipyramids that share corners with four equivalent TmSb2Pd4 octahedra, corners with twelve equivalent TmSb2Pd3 trigonal bipyramids, edges with seven equivalent TmSb2Pd3 trigonal bipyramids, faces with two equivalent TmSb2Pd4 octahedra, and a faceface with one TmSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are one shorter (2.95 Å) and two longer (2.97 Å) Tm–Pd bond lengths. Both Tm–Sb bond lengths are 3.23 Å. Pd is bonded in a 8-coordinate geometry to eight Tm atoms. Sb is bonded in a 10-coordinate geometry to ten Tm atoms.
- Publication Date:
- Other Number(s):
- mp-1207986
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Pd-Sb-Tm; Tm5SbPd2; crystal structure
- OSTI Identifier:
- 1723913
- DOI:
- https://doi.org/10.17188/1723913
Citation Formats
Materials Data on Tm5SbPd2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723913.
Materials Data on Tm5SbPd2 by Materials Project. United States. doi:https://doi.org/10.17188/1723913
2020.
"Materials Data on Tm5SbPd2 by Materials Project". United States. doi:https://doi.org/10.17188/1723913. https://www.osti.gov/servlets/purl/1723913. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1723913,
title = {Materials Data on Tm5SbPd2 by Materials Project},
abstractNote = {Tm5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted TmSb2Pd4 octahedra that share corners with six equivalent TmSb2Pd4 octahedra, corners with sixteen equivalent TmSb2Pd3 trigonal bipyramids, and faces with eight equivalent TmSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Tm–Pd bond lengths are 2.96 Å. Both Tm–Sb bond lengths are 3.41 Å. In the second Tm site, Tm is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted TmSb2Pd3 trigonal bipyramids that share corners with four equivalent TmSb2Pd4 octahedra, corners with twelve equivalent TmSb2Pd3 trigonal bipyramids, edges with seven equivalent TmSb2Pd3 trigonal bipyramids, faces with two equivalent TmSb2Pd4 octahedra, and a faceface with one TmSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–63°. There are one shorter (2.95 Å) and two longer (2.97 Å) Tm–Pd bond lengths. Both Tm–Sb bond lengths are 3.23 Å. Pd is bonded in a 8-coordinate geometry to eight Tm atoms. Sb is bonded in a 10-coordinate geometry to ten Tm atoms.},
doi = {10.17188/1723913},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}