Materials Data on Ca2AuN by Materials Project

Kristin Persson
Ca2AuN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a distorted L-shaped geometry to six equivalent Au1- and two equivalent N3- atoms. There are two shorter (3.21 Å) and four longer (3.27 Å) Ca–Au bond lengths. Both Ca–N bond lengths are 2.41 Å. In the second Ca2+ site, Ca2+ is bonded in a 5-coordinate geometry to one...
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