Materials Data on Ca2As by Materials Project
Ca2As crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent As atoms. All Ca–As bond lengths are 3.13 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.96 Å) and four longer (3.31 Å) Ca–As bond lengths. As is bonded in a 9-coordinate geometry to nine Ca atoms.
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