#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 1.5.YBa2Cu3O6+d.mcif -- in P1.1 GROUP 1 1 P 1 SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 LTRANSL -1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 LORIENT -1 0 0 0 0 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 1.000000 LMATRIX 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 CELLP 7.720000 7.720000 23.688000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Cu Cu1_1 1.0000 0.000000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 2 Cu Cu1_2 1.0000 0.000000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 3 Cu Cu1_3 1.0000 0.000000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 4 Cu Cu1_4 1.0000 0.000000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 5 Cu Cu1_5 1.0000 0.500000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 6 Cu Cu1_6 1.0000 0.500000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 7 Cu Cu1_7 1.0000 0.500000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 8 Cu Cu1_8 1.0000 0.500000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 9 Cu Cu2_1 1.0000 0.000000 0.000000 0.180520 1a 1 0.000000 0.000000 0.000000 1.00 10 Cu Cu2_2 1.0000 0.000000 0.500000 0.319480 1a 1 0.000000 0.000000 0.000000 1.00 11 Cu Cu2_3 1.0000 0.000000 0.000000 0.319480 1a 1 0.000000 0.000000 0.000000 1.00 12 Cu Cu2_4 1.0000 0.000000 0.500000 0.180520 1a 1 0.000000 0.000000 0.000000 1.00 13 Cu Cu2_5 1.0000 0.000000 0.500000 0.680520 1a 1 0.000000 0.000000 0.000000 1.00 14 Cu Cu2_6 1.0000 0.500000 0.000000 0.680520 1a 1 0.000000 0.000000 0.000000 1.00 15 Cu Cu2_7 1.0000 0.500000 0.500000 0.180520 1a 1 0.000000 0.000000 0.000000 1.00 16 Cu Cu2_8 1.0000 0.000000 0.000000 0.819480 1a 1 0.000000 0.000000 0.000000 1.00 17 Cu Cu2_9 1.0000 0.000000 0.500000 0.819480 1a 1 0.000000 0.000000 0.000000 1.00 18 Cu Cu2_10 1.0000 0.000000 0.000000 0.680520 1a 1 0.000000 0.000000 0.000000 1.00 19 Cu Cu2_11 1.0000 0.500000 0.500000 0.819480 1a 1 0.000000 0.000000 0.000000 1.00 20 Cu Cu2_12 1.0000 0.500000 0.000000 0.819480 1a 1 0.000000 0.000000 0.000000 1.00 21 Cu Cu2_13 1.0000 0.500000 0.500000 0.680520 1a 1 0.000000 0.000000 0.000000 1.00 22 Cu Cu2_14 1.0000 0.500000 0.000000 0.319480 1a 1 0.000000 0.000000 0.000000 1.00 23 Cu Cu2_15 1.0000 0.500000 0.500000 0.319480 1a 1 0.000000 0.000000 0.000000 1.00 24 Cu Cu2_16 1.0000 0.500000 0.000000 0.180520 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Cu1_1 1.000000 2 Cu1_2 1.000000 3 Cu1_3 1.000000 4 Cu1_4 1.000000 5 Cu1_5 1.000000 6 Cu1_6 1.000000 7 Cu1_7 1.000000 8 Cu1_8 1.000000 9 Cu2_1 1.000000 10 Cu2_2 1.000000 11 Cu2_3 1.000000 12 Cu2_4 1.000000 13 Cu2_5 1.000000 14 Cu2_6 1.000000 15 Cu2_7 1.000000 16 Cu2_8 1.000000 17 Cu2_9 1.000000 18 Cu2_10 1.000000 19 Cu2_11 1.000000 20 Cu2_12 1.000000 21 Cu2_13 1.000000 22 Cu2_14 1.000000 23 Cu2_15 1.000000 24 Cu2_16 1.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND 0 1 0 1 0 1 0 0 0 0 0 SBOND 0 0 0 0 SITET 1 Cu1_1 1.2800 34 71 220 34 71 220 204 0 2 Cu1_2 1.2800 34 71 220 34 71 220 204 0 3 Cu1_3 1.2800 34 71 220 34 71 220 204 0 4 Cu1_4 1.2800 34 71 220 34 71 220 204 0 5 Cu1_5 1.2800 34 71 220 34 71 220 204 0 6 Cu1_6 1.2800 34 71 220 34 71 220 204 0 7 Cu1_7 1.2800 34 71 220 34 71 220 204 0 8 Cu1_8 1.2800 34 71 220 34 71 220 204 0 9 Cu2_1 1.2800 34 71 220 34 71 220 204 0 10 Cu2_2 1.2800 34 71 220 34 71 220 204 0 11 Cu2_3 1.2800 34 71 220 34 71 220 204 0 12 Cu2_4 1.2800 34 71 220 34 71 220 204 0 13 Cu2_5 1.2800 34 71 220 34 71 220 204 0 14 Cu2_6 1.2800 34 71 220 34 71 220 204 0 15 Cu2_7 1.2800 34 71 220 34 71 220 204 0 16 Cu2_8 1.2800 34 71 220 34 71 220 204 0 17 Cu2_9 1.2800 34 71 220 34 71 220 204 0 18 Cu2_10 1.2800 34 71 220 34 71 220 204 0 19 Cu2_11 1.2800 34 71 220 34 71 220 204 0 20 Cu2_12 1.2800 34 71 220 34 71 220 204 0 21 Cu2_13 1.2800 34 71 220 34 71 220 204 0 22 Cu2_14 1.2800 34 71 220 34 71 220 204 0 23 Cu2_15 1.2800 34 71 220 34 71 220 204 0 24 Cu2_16 1.2800 34 71 220 34 71 220 204 0 0 0 0 0 0 0 VECTR 1 1.23000 0.00000 0.00000 0 9 0 0 0 0 0 0 0 0 0 2 1.23000 0.00000 0.00000 0 10 0 0 0 0 0 0 0 0 0 3 -1.23000 0.00000 0.00000 0 11 0 0 0 0 0 0 0 0 0 4 -1.23000 0.00000 0.00000 0 12 0 0 0 0 0 0 0 0 0 5 1.23000 0.00000 0.00000 0 13 0 0 0 0 0 0 0 0 0 6 1.23000 0.00000 0.00000 0 14 0 0 0 0 0 0 0 0 0 7 1.23000 0.00000 0.00000 0 15 0 0 0 0 0 0 0 0 0 8 1.23000 0.00000 0.00000 0 16 0 0 0 0 0 0 0 0 0 9 -1.23000 0.00000 0.00000 0 17 0 0 0 0 0 0 0 0 0 10 -1.23000 0.00000 0.00000 0 18 0 0 0 0 0 0 0 0 0 11 1.23000 0.00000 0.00000 0 19 0 0 0 0 0 0 0 0 0 12 -1.23000 0.00000 0.00000 0 20 0 0 0 0 0 0 0 0 0 13 -1.23000 0.00000 0.00000 0 21 0 0 0 0 0 0 0 0 0 14 1.23000 0.00000 0.00000 0 22 0 0 0 0 0 0 0 0 0 15 -1.23000 0.00000 0.00000 0 23 0 0 0 0 0 0 0 0 0 16 -1.23000 0.00000 0.00000 0 24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 1 2 0.500 255 0 0 1 3 0.500 255 0 0 1 4 0.500 255 0 0 1 5 0.500 255 0 0 1 6 0.500 255 0 0 1 7 0.500 255 0 0 1 8 0.500 255 0 0 1 9 0.500 255 0 0 1 10 0.500 255 0 0 1 11 0.500 255 0 0 1 12 0.500 255 0 0 1 13 0.500 255 0 0 1 14 0.500 255 0 0 1 15 0.500 255 0 0 1 16 0.500 255 0 0 1 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 PLN2D 0 0 0 0 ATOMT 0 0 0 0 0 0 SCENE