Materials Data on Tb5SbPd2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1746456· OSTI ID:1746456

Tb5Pd2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Pd and two equivalent Sb atoms to form distorted TbSb2Pd4 octahedra that share corners with six equivalent TbSb2Pd4 octahedra, corners with sixteen equivalent TbSb2Pd3 trigonal bipyramids, and faces with eight equivalent TbSb2Pd3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–49°. All Tb–Pd bond lengths are 3.04 Å. Both Tb–Sb bond lengths are 3.40 Å. In the second Tb site, Tb is bonded to three equivalent Pd and two equivalent Sb atoms to form distorted TbSb2Pd3 trigonal bipyramids that share corners with four equivalent TbSb2Pd4 octahedra, corners with twelve equivalent TbSb2Pd3 trigonal bipyramids, edges with seven equivalent TbSb2Pd3 trigonal bipyramids, faces with two equivalent TbSb2Pd4 octahedra, and a faceface with one TbSb2Pd3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 43–64°. There are one shorter (3.00 Å) and two longer (3.01 Å) Tb–Pd bond lengths. Both Tb–Sb bond lengths are 3.30 Å. Pd is bonded in a 8-coordinate geometry to eight Tb atoms. Sb is bonded in a distorted q6 geometry to ten Tb atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1746456
• Report Number(s): mp-1208413
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pd-Sb-Tb
Tb5SbPd2
crystal structure