The synthesis and structure of new transition metal lithium calcium nitride compounds

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Three new nitrides, Li Ca V Nb N , Li Ca Nb N and Li Ca W N , were synthesized in sealed niobium tubes using lithium nitride as a flux at temperatures ranging from 800 °C to 1050 °C. In all of these compounds, the transition metals are coordinated tetrahedrally by nitrogen; these tetrahedra are isolated from each other. Li Ca V Nb N , space group P2 /m (no. 11), cell parameters a=5.7669(8) Å, b=6.9123(9) Å, c=6.0116(12) Å, β=90.727(9)°, Z=2, has a shared vanadium/niobium tetrahedral position which shares vertices with the tetrahedrally-coordinated lithium position.Li Ca Nb N , space group Req o(3,̄)m (no. 166), cell parameters a=3.6311(2) Å, c=29.459(3) Å, Z=3, contains a disordered tetrahedral calcium/niobium position, an octahedral calcium position and a triangularly coordinated lithium position.Li Ca W N , space group C2/c (no. 15), cell parameters a=27.7347(19) Å, b=8.6652(6) Å, c=10.7685(7) Å, β=110.314(2)°, Z=4, contains three crystallographically different tungsten positions as well as one disordered lithium position. © 2012 Elsevier Inc. All rights reserved. 3 2 0.79 0.21 4 2 2.67 0.33 3 12 9 5 20 3 2 0.79 0.21 4 1 2 2.67 0.33 3 12 9 5 20

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Journal of Solid State Chemistry

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