Materials Data on Ca(NiAs)2 by Materials Project
Ca(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Ca–As bond lengths are 3.17 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.36 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni2+, and one As3- atom. The As–As bond length is 2.62 Å.
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