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Materials Data on LaTe2 by Materials Project

LaTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are five shorter (3.34 Å) and four longer (3.42 Å) La–Te bond lengths. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded to five equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.22 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ca(LaTe2)2 by Materials Project

Ca(LaTe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Te2- atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent LaTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent LaTe8 hexagonal bipyramids. There are four shorter (3.23 Å) and four longer (3.48 Å) Ca–Te bond lengths. La3+ is bonded to eight equivalent Te2- atoms to form distorted LaTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent LaTe8 hexagonal bipyramids, edges with four equivalent LaTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent LaTe8 hexagonal bipyramids. There are a spread of La–Te bond distances ranging from 3.25–3.47 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent La3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaTe2 by Materials Project

LaTe2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three 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 3.29–3.54 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 3.29–3.55 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 3.34–3.45 Å. There are six 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 two shorter (3.05 Å) and two longer (3.48 Å) Te–Te bond lengths. In the second Te+1.50- site, Te+1.50- is bonded in a 4-coordinate geometry to four La3+ and four equivalent Te+1.50- atoms. In the third Te+1.50- site, Te+1.50- is bonded in a 4-coordinate geometry to four La3+ and four equivalent Te+1.50- atoms. In the fourth Te+1.50- site, Te+1.50- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-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 corner and edge-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 corner and edge-sharing TeLa5 trigonal bipyramids.

36 MATERIALS SCIENCE↗