Materials Data on LaTe2 by Materials Project

Dataset · Tue Sep 25 04:00:00 EDT 2012

DOI:https://doi.org/10.17188/1276330· OSTI ID:1276330

LaTe2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.46 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.33–3.42 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.33–3.42 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.28–3.46 Å. There are eight inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms. There are a spread of Te–Te bond distances ranging from 3.09–3.40 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms. There are one shorter (3.20 Å) and one longer (3.40 Å) Te–Te bond lengths. In the third Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the fourth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the fifth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the sixth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the seventh Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- atoms. There are one shorter (3.08 Å) and one longer (3.27 Å) Te–Te bond lengths. In the eighth Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four La3+ and four Te+1.50- 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: 1276330
• Report Number(s): mp-571576
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Te
LaTe2
crystal structure