Materials Data on LaTe2 by Materials Project

Abstract

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.