Abstract
A new quaternary nitride, Li3Ba2TaN4, has been synthesized from Li, Ba and Ta metals under flowing N2 at high temperature. The structure, as determined by single crystal X-ray diffraction techniques, is monoclinic, space group C2c, 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 F2 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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