Synthesis and crystal structure analysis of complex hydride Mg(BH4)(NH2)

• The novel complex hydrides Mg(BH4)(NH2) was synthesized.
• The dehydrogenation temperature of Mg(BH4)(NH2) is about 473 K.
• The crystal structure of Mg(BH4)(NH2) at 453 K was determined.
• The cation (Mg2+) and the anions (BH4−, NH2−) are stacking alternately.

Complex hydride Mg(BH4)(NH2), which consists of double anion BH4− and NH2−, was synthesized and the crystal structure was analyzed by synchrotron X-ray diffraction. The mixture sample of Mg(BH4)2 + Mg(NH2)2 prepared by ball milling was reacted and crystallized to Mg(BH4)(NH2) by heating at about 453 K. This crystal phase transforms into amorphous phase above 473 K and subsequently the dehydrogenation begins. The crystal structure of Mg(BH4)(NH2) was determined from measurement data at 453 K (chemical formula: Mg0.94(BH4)1(NH2)0.88, crystal system: tetragonal, space group: I41 (No.80), Z = 8, lattice constants: a = 5.814(1), c = 20.450(4) Å at 453 K). Mg(BH4)(NH2) is ionic crystal which the cation (Mg2+) and the anions (BH4− and NH2−) are stacking alternately along the c-axis direction. Two BH4− and two NH2− tetrahedrally coordinate around Mg2+ ion.