Materials Data on Ta3(InS3)2 by Materials Project

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

DOI:https://doi.org/10.17188/1710877· OSTI ID:1710877

Ta3(InS3)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Ta+3.33+ sites. In the first Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. In the second Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. In1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All In–S bond lengths are 3.15 Å. S2- is bonded in a 5-coordinate geometry to three Ta+3.33+ and two equivalent In1+ 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: 1710877
• Report Number(s): mp-1218117
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-S-Ta
Ta3(InS3)2
crystal structure