Dear Sir, The structure File of Mo2C is mentioned below Title
H LATTICE,NONEQUIV.ATOMS: 2 194_P63/mmc MODE OF CALC=RELA unit=ang 5.692500 5.692500 8.960102 90.000000 90.000000120.000000 ATOM -1: X=0.30000000 Y=0.60000000 Z=0.25000000 MULT= 6 ISPLIT= 8 -1: X=0.70000000 Y=0.40000000 Z=0.75000000 -1: X=0.70000000 Y=0.30000000 Z=0.75000000 -1: X=0.30000000 Y=0.70000000 Z=0.25000000 -1: X=0.60000000 Y=0.30000000 Z=0.75000000 -1: X=0.40000000 Y=0.70000000 Z=0.25000000 Mo1 NPT= 781 R0=0.00001000 RMT= 0.2500 Z: 42.0 LOCAL ROT MATRIX: -0.0000000 0.8660254 0.5000000 0.0000000-0.5000000 0.8660254 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 2 ISPLIT= 4 -2: X=0.00000000 Y=0.00000000 Z=0.00000000 C 1 NPT= 781 R0=0.00010000 RMT= 1.0000 Z: 6.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 24 NUMBER OF SYMMETRY OPERATIONS -1 0 0 0.00000000 -1 1 0 0.00000000 0 0-1 0.00000000 1 -1 1 0 0.00000000 -1 0 0-0.00000000 0 0 1 0.00000000 2 -1 0 0 0.00000000 0-1 0-0.00000000 0 0-1 0.00000000 3 -1 1 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 4 0-1 0 0.00000000 -1 0 0-0.00000000 0 0 1 0.00000000 5 0 1 0 0.00000000 -1 1 0 0.00000000 0 0-1 0.00000000 6 0-1 0 0.00000000 1-1 0-0.00000000 0 0 1 0.00000000 7 0 1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 8 1-1 0 0.00000000 0-1 0-0.00000000 0 0-1 0.00000000 9 1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 10 1-1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 11 1 0 0 0.00000000 1-1 0-0.00000000 0 0 1 0.00000000 12 0 1 0 0.00000000 -1 1 0 0.00000000 0 0 1 0.50000000 13 0-1 0 0.00000000 1-1 0-0.00000000 0 0-1 0.50000000 14 -1 1 0 0.00000000 0 1 0 0.00000000 0 0-1 0.50000000 15 -1 0 0 0.00000000 -1 1 0 0.00000000 0 0 1 0.50000000 16 0 1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.50000000 17 0-1 0 0.00000000 -1 0 0-0.00000000 0 0-1 0.50000000 18 1-1 0 0.00000000 0-1 0-0.00000000 0 0 1 0.50000000 19 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.50000000 20 -1 1 0 0.00000000 -1 0 0-0.00000000 0 0-1 0.50000000 21 -1 0 0 0.00000000 0-1 0-0.00000000 0 0 1 0.50000000 22 1-1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.50000000 23 1 0 0 0.00000000 1-1 0-0.00000000 0 0-1 0.50000000 24 <http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html> With Regards Shakeel
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