Materials Data on VIn3 by Materials Project

Dataset · Tue May 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1680213· OSTI ID:1680213

VIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent In atoms to form VIn12 cuboctahedra that share corners with six equivalent VIn12 cuboctahedra, corners with twelve equivalent InV4In8 cuboctahedra, edges with eighteen equivalent InV4In8 cuboctahedra, faces with eight equivalent VIn12 cuboctahedra, and faces with twelve equivalent InV4In8 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.17 Å) V–In bond lengths. In is bonded to four equivalent V and eight equivalent In atoms to form InV4In8 cuboctahedra that share corners with four equivalent VIn12 cuboctahedra, corners with fourteen equivalent InV4In8 cuboctahedra, edges with six equivalent VIn12 cuboctahedra, edges with twelve equivalent InV4In8 cuboctahedra, faces with four equivalent VIn12 cuboctahedra, and faces with sixteen equivalent InV4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.03–3.21 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: 1680213
• Report Number(s): mp-1188006
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-V
VIn3
crystal structure