Materials Data on Tb5CoSb2 by Materials Project

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

DOI:https://doi.org/10.17188/1263020· OSTI ID:1263020

Tb5CoSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing TbCoSb4 trigonal bipyramids. The Tb–Co bond length is 2.71 Å. There are two shorter (3.16 Å) and two longer (3.17 Å) Tb–Sb bond lengths. In the second Tb site, Tb is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing TbCoSb4 trigonal bipyramids. The Tb–Co bond length is 3.04 Å. All Tb–Sb bond lengths are 3.13 Å. In the third Tb site, Tb is bonded to one Co and four equivalent Sb atoms to form a mixture of distorted corner and edge-sharing TbCoSb4 trigonal bipyramids. The Tb–Co bond length is 2.72 Å. There are two shorter (3.19 Å) and two longer (3.24 Å) Tb–Sb bond lengths. In the fourth Tb site, Tb is bonded in a 5-coordinate geometry to two equivalent Co and three equivalent Sb atoms. There are one shorter (2.75 Å) and one longer (2.87 Å) Tb–Co bond lengths. There are a spread of Tb–Sb bond distances ranging from 3.33–3.53 Å. Co is bonded to seven Tb atoms to form distorted edge-sharing CoTb7 pentagonal bipyramids. Sb is bonded in a 9-coordinate geometry to nine 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: 1263020
• Report Number(s): mp-510592
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Sb-Tb
Tb5CoSb2
crystal structure