Materials Data on Cd2As3Br by Materials Project
Cd2As3Br crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cd2+ is bonded in a 4-coordinate geometry to three As1- and one Br1- atom. There are a spread of Cd–As bond distances ranging from 2.68–2.79 Å. The Cd–Br bond length is 2.83 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to two equivalent Cd2+ and two As1- atoms to form distorted corner-sharing AsCd2As2 trigonal pyramids. There are one shorter (2.46 Å) and one longer (2.48 Å) As–As bond lengths. In the second As1- site, As1- is bonded to two equivalent Cd2+ and two equivalent As1- atoms to form distorted corner-sharing AsCd2As2 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.
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