Na2BH4O4Cl crystallizes in the tetragonal P4/nmm space group. Na(1) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form NaCl2O4 octahedra that share corners with two equivalent Na(1)Cl2O4 octahedra, corners with four equivalent B(1)O4 tetrahedra, and edges with four equivalent Na(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 48°. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with eight equivalent Na(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 54°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted water-like geometry to two equivalent Na(1), one B(1), and one H(1) atom. Cl(1) is bonded to four equivalent Na(1) atoms to form distorted corner-sharing ClNa4 trigonal pyramids.
Na2BH4O4Cl crystallizes in the tetragonal P4/nmm space group. Na(1) is bonded to four equivalent O(1) and two equivalent Cl(1) atoms to form NaCl2O4 octahedra that share corners with two equivalent Na(1)Cl2O4 octahedra, corners with four equivalent B(1)O4 tetrahedra, and edges with four equivalent Na(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 48°. All Na(1)-O(1) bond lengths are 2.48 Å. Both Na(1)-Cl(1) bond lengths are 2.86 Å. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with eight equivalent Na(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles are 54°. All B(1)-O(1) bond lengths are 1.50 Å. H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.98 Å. O(1) is bonded in a distorted water-like geometry to two equivalent Na(1), one B(1), and one H(1) atom. Cl(1) is bonded to four equivalent Na(1) atoms to form distorted corner-sharing ClNa4 trigonal pyramids.