Abstract
A new quaternary nitride, Li 3Ba 2TaN 4, has been synthesized from Li, Ba and Ta metals under flowing N 2 at high temperature. The structure, as determined by single crystal X-ray diffraction techniques, is monoclinic, space group C2 c , Z=4 , with lattice parameters a=11.294(2) A ̊ , b=5.678(1) A ̊ , c=11.350(2) A ̊ , and β=121.407(7)° . Refinement based upon F 2 yielded R2=0.052 and wR2=0.074 (for comparison, a refinement based upon F yielded R1=0.032). The Ta and one of the two independent Li ions are tetrahedrally coordinated by N anions; the Li tetrahedra are distorted. By sharing edges, the Ta and Li tetrahedra form chains which are linked together by the remaining Li ions to form the three-dimensional structure.
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