Materials Data on La4SbTe7 by Materials Project

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

DOI:https://doi.org/10.17188/1749580· OSTI ID:1749580

La4SbTe7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent La+2.75+ sites. In the first La+2.75+ site, La+2.75+ is bonded to seven Te2- atoms to form a mixture of distorted edge, face, and corner-sharing LaTe7 pentagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.31–3.46 Å. In the second La+2.75+ site, La+2.75+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of La–Te bond distances ranging from 3.31–3.42 Å. Sb3+ is bonded in a square co-planar geometry to four equivalent Te2- atoms. All Sb–Te bond lengths are 3.20 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five La+2.75+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the second Te2- site, Te2- is bonded to five La+2.75+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent La+2.75+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.20 Å. In the fourth Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent La+2.75+ and four equivalent Sb3+ 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: 1749580
• Report Number(s): mp-1223110
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Sb-Te
La4SbTe7
crystal structure