Materials Data on NdAs3 by Materials Project
NdAs3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded to twelve As1- atoms to form a mixture of face, edge, and corner-sharing NdAs12 cuboctahedra. There are four shorter (2.96 Å) and eight longer (3.28 Å) Nd–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent As1- atoms. All As–As bond lengths are 2.96 Å. In the second As1- site, As1- is bonded in a square co-planar geometry to four equivalent Nd3+ atoms.
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