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Materials Data on NdTe2 by Materials Project

NdTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Nd–Te bond distances ranging from 3.29–3.37 Å. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded to five equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing TeNd5 trigonal bipyramids. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ca(NdTe2)2 by Materials Project

Ca(NdTe2)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 NdTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent NdTe8 hexagonal bipyramids. There are four shorter (3.20 Å) and four longer (3.46 Å) Ca–Te bond lengths. Nd3+ is bonded to eight equivalent Te2- atoms to form distorted NdTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent NdTe8 hexagonal bipyramids, edges with four equivalent NdTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent NdTe8 hexagonal bipyramids. There are a spread of Nd–Te bond distances ranging from 3.21–3.41 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Nd3+ atoms.

36 MATERIALS SCIENCE↗