Materials Data on Tb2In8Co by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1717437· OSTI ID:1717437

Tb2CoIn8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve In atoms to form TbIn12 cuboctahedra that share corners with eight equivalent TbIn12 cuboctahedra, edges with twelve InTb4In8 cuboctahedra, faces with five equivalent TbIn12 cuboctahedra, and faces with eight InTb4In8 cuboctahedra. There are a spread of Tb–In bond distances ranging from 3.23–3.29 Å. Co is bonded in a body-centered cubic geometry to eight In atoms. All Co–In bond lengths are 2.73 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Co, and seven In atoms. There are a spread of In–In bond distances ranging from 2.87–3.28 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Co, and seven In atoms. Both In–Tb bond lengths are 3.23 Å. There are two shorter (3.22 Å) and four longer (3.28 Å) In–In bond lengths. In the third In site, In is bonded to four equivalent Tb and eight In atoms to form distorted InTb4In8 cuboctahedra that share corners with eight equivalent InTb4In8 cuboctahedra, edges with four equivalent TbIn12 cuboctahedra, edges with eight equivalent InTb4In8 cuboctahedra, faces with four equivalent TbIn12 cuboctahedra, and faces with nine InTb4In8 cuboctahedra. All In–In bond lengths are 3.30 Å. In the fourth In site, In is bonded to four equivalent Tb and eight In atoms to form distorted InTb4In8 cuboctahedra that share corners with four equivalent InTb4In8 cuboctahedra, edges with eight equivalent TbIn12 cuboctahedra, edges with eight equivalent InTb4In8 cuboctahedra, faces with four equivalent TbIn12 cuboctahedra, and faces with twelve InTb4In8 cuboctahedra. All In–In bond lengths are 3.28 Å.

• 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: 1717437
• Report Number(s): mp-1207187
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-In-Tb
Tb2In8Co
crystal structure