Ca(BH4)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one B(1) atom. In the second H site, H(1) is bonded in a distorted single-bond geometry to one Ca(1) and one B(1) atom.
Ca(BH4)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent H(1) and four equivalent H(2) atoms. All Ca(1)-H(1) bond lengths are 2.42 Å. All Ca(1)-H(2) bond lengths are 2.31 Å. B(1) is bonded in a tetrahedral geometry to two equivalent H(1) and two equivalent H(2) atoms. Both B(1)-H(1) bond lengths are 1.22 Å. Both B(1)-H(2) bond lengths are 1.22 Å. There are two inequivalent H sites. In the first H site, H(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1) and one B(1) atom. In the second H site, H(1) is bonded in a distorted single-bond geometry to one Ca(1) and one B(1) atom.