Materials Data on RbIn(TeMo)6 by Materials Project

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

DOI:https://doi.org/10.17188/1700878· OSTI ID:1700878

RbIn(MoTe)6 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Rb is bonded in a trigonal planar geometry to three Te atoms. There are one shorter (3.46 Å) and two longer (3.47 Å) Rb–Te bond lengths. There are six inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are a spread of Mo–Mo bond distances ranging from 2.67–2.77 Å. There are a spread of Mo–Te bond distances ranging from 2.79–2.89 Å. In the second Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are one shorter (2.68 Å) and four longer (2.77 Å) Mo–Mo bond lengths. There are a spread of Mo–Te bond distances ranging from 2.80–2.89 Å. In the third Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. All Mo–Mo bond lengths are 2.77 Å. There are a spread of Mo–Te bond distances ranging from 2.80–2.89 Å. In the fourth Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are one shorter (2.66 Å) and one longer (2.67 Å) Mo–Mo bond lengths. There are one shorter (2.83 Å) and three longer (2.87 Å) Mo–Te bond lengths. In the fifth Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. The Mo–Mo bond length is 2.66 Å. There are one shorter (2.84 Å) and three longer (2.87 Å) Mo–Te bond lengths. In the sixth Mo site, Mo is bonded in a 10-coordinate geometry to six Mo and four Te atoms. There are one shorter (2.83 Å) and three longer (2.87 Å) Mo–Te bond lengths. In is bonded in a trigonal planar geometry to three Te atoms. There are a spread of In–Te bond distances ranging from 3.36–3.38 Å. There are six inequivalent Te sites. In the first Te site, Te is bonded in a 1-coordinate geometry to one Rb and four Mo atoms. In the second Te site, Te is bonded in a 1-coordinate geometry to one Rb and four Mo atoms. In the third Te site, Te is bonded in a 1-coordinate geometry to one Rb and four Mo atoms. In the fourth Te site, Te is bonded in a 5-coordinate geometry to four Mo and one In atom. In the fifth Te site, Te is bonded in a 5-coordinate geometry to four Mo and one In atom. In the sixth Te site, Te is bonded in a 5-coordinate geometry to four Mo and one In atom.

• 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: 1700878
• Report Number(s): mp-1219866
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Mo-Rb-Te
RbIn(TeMo)6
crystal structure