#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 1.53.Er2BaNiO5.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 7.509100 5.731900 22.542999 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Er Er1_1 1.0000 0.250000 0.000000 0.101450 1a 1 0.000000 0.000000 0.000000 1.00 2 Er Er1_2 1.0000 0.250000 0.000000 0.898550 1a 1 0.000000 0.000000 0.000000 1.00 3 Er Er1_3 1.0000 0.750000 0.000000 0.898550 1a 1 0.000000 0.000000 0.000000 1.00 4 Er Er1_4 1.0000 0.750000 0.000000 0.101450 1a 1 0.000000 0.000000 0.000000 1.00 5 Er Er1_5 1.0000 0.500000 0.500000 0.851450 1a 1 0.000000 0.000000 0.000000 1.00 6 Er Er1_6 1.0000 0.750000 0.000000 0.601450 1a 1 0.000000 0.000000 0.000000 1.00 7 Er Er1_7 1.0000 0.000000 0.500000 0.351450 1a 1 0.000000 0.000000 0.000000 1.00 8 Er Er1_8 1.0000 0.500000 0.500000 0.648550 1a 1 0.000000 0.000000 0.000000 1.00 9 Er Er1_9 1.0000 0.000000 0.500000 0.648550 1a 1 0.000000 0.000000 0.000000 1.00 10 Er Er1_10 1.0000 0.000000 0.500000 0.851450 1a 1 0.000000 0.000000 0.000000 1.00 11 Er Er1_11 1.0000 0.000000 0.500000 0.148550 1a 1 0.000000 0.000000 0.000000 1.00 12 Er Er1_12 1.0000 0.500000 0.500000 0.351450 1a 1 0.000000 0.000000 0.000000 1.00 13 Er Er1_13 1.0000 0.500000 0.500000 0.148550 1a 1 0.000000 0.000000 0.000000 1.00 14 Er Er1_14 1.0000 0.750000 0.000000 0.398550 1a 1 0.000000 0.000000 0.000000 1.00 15 Er Er1_15 1.0000 0.250000 0.000000 0.398550 1a 1 0.000000 0.000000 0.000000 1.00 16 Er Er1_16 1.0000 0.250000 0.000000 0.601450 1a 1 0.000000 0.000000 0.000000 1.00 17 Ba Ba1_1 1.0000 0.250000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 18 Ba Ba1_2 1.0000 0.750000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 19 Ba Ba1_3 1.0000 0.500000 0.000000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 20 Ba Ba1_4 1.0000 0.750000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 21 Ba Ba1_5 1.0000 0.000000 0.000000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 22 Ba Ba1_6 1.0000 0.000000 0.000000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 23 Ba Ba1_7 1.0000 0.500000 0.000000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 24 Ba Ba1_8 1.0000 0.250000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 25 Ni Ni1_1 1.0000 0.000000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 26 Ni Ni1_2 1.0000 0.500000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 27 Ni Ni1_3 1.0000 0.250000 0.500000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 28 Ni Ni1_4 1.0000 0.500000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 29 Ni Ni1_5 1.0000 0.750000 0.500000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 30 Ni Ni1_6 1.0000 0.750000 0.500000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 31 Ni Ni1_7 1.0000 0.250000 0.500000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 32 Ni Ni1_8 1.0000 0.000000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 33 O O1_1 1.0000 0.000000 0.241400 0.074150 1a 1 0.000000 0.000000 0.000000 1.00 34 O O1_2 1.0000 0.500000 0.241400 0.925850 1a 1 0.000000 0.000000 0.000000 1.00 35 O O1_3 1.0000 0.000000 0.758600 0.925850 1a 1 0.000000 0.000000 0.000000 1.00 36 O O1_4 1.0000 0.500000 0.758600 0.074150 1a 1 0.000000 0.000000 0.000000 1.00 37 O O1_5 1.0000 0.250000 0.741400 0.824150 1a 1 0.000000 0.000000 0.000000 1.00 38 O O1_6 1.0000 0.500000 0.241400 0.574150 1a 1 0.000000 0.000000 0.000000 1.00 39 O O1_7 1.0000 0.750000 0.741400 0.324150 1a 1 0.000000 0.000000 0.000000 1.00 40 O O1_8 1.0000 0.750000 0.741400 0.675850 1a 1 0.000000 0.000000 0.000000 1.00 41 O O1_9 1.0000 0.250000 0.258600 0.675850 1a 1 0.000000 0.000000 0.000000 1.00 42 O O1_10 1.0000 0.750000 0.258600 0.824150 1a 1 0.000000 0.000000 0.000000 1.00 43 O O1_11 1.0000 0.250000 0.741400 0.175850 1a 1 0.000000 0.000000 0.000000 1.00 44 O O1_12 1.0000 0.250000 0.258600 0.324150 1a 1 0.000000 0.000000 0.000000 1.00 45 O O1_13 1.0000 0.750000 0.258600 0.175850 1a 1 0.000000 0.000000 0.000000 1.00 46 O O1_14 1.0000 0.000000 0.241400 0.425850 1a 1 0.000000 0.000000 0.000000 1.00 47 O O1_15 1.0000 0.500000 0.758600 0.425850 1a 1 0.000000 0.000000 0.000000 1.00 48 O O1_16 1.0000 0.000000 0.758600 0.574150 1a 1 0.000000 0.000000 0.000000 1.00 49 O O1_17 1.0000 0.500000 0.241400 0.074150 1a 1 0.000000 0.000000 0.000000 1.00 50 O O1_18 1.0000 0.000000 0.241400 0.925850 1a 1 0.000000 0.000000 0.000000 1.00 51 O O1_19 1.0000 0.500000 0.758600 0.925850 1a 1 0.000000 0.000000 0.000000 1.00 52 O O1_20 1.0000 0.000000 0.758600 0.074150 1a 1 0.000000 0.000000 0.000000 1.00 53 O O1_21 1.0000 0.750000 0.741400 0.824150 1a 1 0.000000 0.000000 0.000000 1.00 54 O O1_22 1.0000 0.250000 0.741400 0.675850 1a 1 0.000000 0.000000 0.000000 1.00 55 O O1_23 1.0000 0.750000 0.258600 0.675850 1a 1 0.000000 0.000000 0.000000 1.00 56 O O1_24 1.0000 0.250000 0.258600 0.824150 1a 1 0.000000 0.000000 0.000000 1.00 57 O O1_25 1.0000 0.750000 0.741400 0.175850 1a 1 0.000000 0.000000 0.000000 1.00 58 O O1_26 1.0000 0.250000 0.741400 0.324150 1a 1 0.000000 0.000000 0.000000 1.00 59 O O1_27 1.0000 0.750000 0.258600 0.324150 1a 1 0.000000 0.000000 0.000000 1.00 60 O O1_28 1.0000 0.250000 0.258600 0.175850 1a 1 0.000000 0.000000 0.000000 1.00 61 O O1_29 1.0000 0.000000 0.241400 0.574150 1a 1 0.000000 0.000000 0.000000 1.00 62 O O1_30 1.0000 0.500000 0.241400 0.425850 1a 1 0.000000 0.000000 0.000000 1.00 63 O O1_31 1.0000 0.000000 0.758600 0.425850 1a 1 0.000000 0.000000 0.000000 1.00 64 O O1_32 1.0000 0.500000 0.758600 0.574150 1a 1 0.000000 0.000000 0.000000 1.00 65 O O2_1 1.0000 0.000000 0.500000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 66 O O2_2 1.0000 0.500000 0.500000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 67 O O2_3 1.0000 0.000000 0.500000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 68 O O2_4 1.0000 0.500000 0.500000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 69 O O2_5 1.0000 0.250000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 70 O O2_6 1.0000 0.750000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 71 O O2_7 1.0000 0.250000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 72 O O2_8 1.0000 0.750000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Er1_1 1.000000 2 Er1_2 1.000000 3 Er1_3 1.000000 4 Er1_4 1.000000 5 Er1_5 1.000000 6 Er1_6 1.000000 7 Er1_7 1.000000 8 Er1_8 1.000000 9 Er1_9 1.000000 10 Er1_10 1.000000 11 Er1_11 1.000000 12 Er1_12 1.000000 13 Er1_13 1.000000 14 Er1_14 1.000000 15 Er1_15 1.000000 16 Er1_16 1.000000 17 Ba1_1 1.000000 18 Ba1_2 1.000000 19 Ba1_3 1.000000 20 Ba1_4 1.000000 21 Ba1_5 1.000000 22 Ba1_6 1.000000 23 Ba1_7 1.000000 24 Ba1_8 1.000000 25 Ni1_1 1.000000 26 Ni1_2 1.000000 27 Ni1_3 1.000000 28 Ni1_4 1.000000 29 Ni1_5 1.000000 30 Ni1_6 1.000000 31 Ni1_7 1.000000 32 Ni1_8 1.000000 33 O1_1 1.000000 34 O1_2 1.000000 35 O1_3 1.000000 36 O1_4 1.000000 37 O1_5 1.000000 38 O1_6 1.000000 39 O1_7 1.000000 40 O1_8 1.000000 41 O1_9 1.000000 42 O1_10 1.000000 43 O1_11 1.000000 44 O1_12 1.000000 45 O1_13 1.000000 46 O1_14 1.000000 47 O1_15 1.000000 48 O1_16 1.000000 49 O1_17 1.000000 50 O1_18 1.000000 51 O1_19 1.000000 52 O1_20 1.000000 53 O1_21 1.000000 54 O1_22 1.000000 55 O1_23 1.000000 56 O1_24 1.000000 57 O1_25 1.000000 58 O1_26 1.000000 59 O1_27 1.000000 60 O1_28 1.000000 61 O1_29 1.000000 62 O1_30 1.000000 63 O1_31 1.000000 64 O1_32 1.000000 65 O2_1 1.000000 66 O2_2 1.000000 67 O2_3 1.000000 68 O2_4 1.000000 69 O2_5 1.000000 70 O2_6 1.000000 71 O2_7 1.000000 72 O2_8 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 1 Ni O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 Er1_1 1.7500 73 114 58 73 114 58 46 0 2 Er1_2 1.7500 73 114 58 73 114 58 46 0 3 Er1_3 1.7500 73 114 58 73 114 58 46 0 4 Er1_4 1.7500 73 114 58 73 114 58 46 0 5 Er1_5 1.7500 73 114 58 73 114 58 46 0 6 Er1_6 1.7500 73 114 58 73 114 58 46 0 7 Er1_7 1.7500 73 114 58 73 114 58 46 0 8 Er1_8 1.7500 73 114 58 73 114 58 46 0 9 Er1_9 1.7500 73 114 58 73 114 58 46 0 10 Er1_10 1.7500 73 114 58 73 114 58 46 0 11 Er1_11 1.7500 73 114 58 73 114 58 46 0 12 Er1_12 1.7500 73 114 58 73 114 58 46 0 13 Er1_13 1.7500 73 114 58 73 114 58 46 0 14 Er1_14 1.7500 73 114 58 73 114 58 46 0 15 Er1_15 1.7500 73 114 58 73 114 58 46 0 16 Er1_16 1.7500 73 114 58 73 114 58 46 0 17 Ba1_1 1.4000 30 239 44 30 239 44 46 0 18 Ba1_2 1.4000 30 239 44 30 239 44 46 0 19 Ba1_3 1.4000 30 239 44 30 239 44 46 0 20 Ba1_4 1.4000 30 239 44 30 239 44 46 0 21 Ba1_5 1.4000 30 239 44 30 239 44 46 0 22 Ba1_6 1.4000 30 239 44 30 239 44 46 0 23 Ba1_7 1.4000 30 239 44 30 239 44 46 0 24 Ba1_8 1.4000 30 239 44 30 239 44 46 0 25 Ni1_1 0.6000 183 187 189 183 187 189 46 0 26 Ni1_2 0.6000 183 187 189 183 187 189 46 0 27 Ni1_3 0.6000 183 187 189 183 187 189 46 0 28 Ni1_4 0.6000 183 187 189 183 187 189 46 0 29 Ni1_5 0.6000 183 187 189 183 187 189 46 0 30 Ni1_6 0.6000 183 187 189 183 187 189 46 0 31 Ni1_7 0.6000 183 187 189 183 187 189 46 0 32 Ni1_8 0.6000 183 187 189 183 187 189 46 0 33 O1_1 0.3000 254 3 0 254 3 0 46 0 34 O1_2 0.3000 254 3 0 254 3 0 46 0 35 O1_3 0.3000 254 3 0 254 3 0 46 0 36 O1_4 0.3000 254 3 0 254 3 0 46 0 37 O1_5 0.3000 254 3 0 254 3 0 46 0 38 O1_6 0.3000 254 3 0 254 3 0 46 0 39 O1_7 0.3000 254 3 0 254 3 0 46 0 40 O1_8 0.3000 254 3 0 254 3 0 46 0 41 O1_9 0.3000 254 3 0 254 3 0 46 0 42 O1_10 0.3000 254 3 0 254 3 0 46 0 43 O1_11 0.3000 254 3 0 254 3 0 46 0 44 O1_12 0.3000 254 3 0 254 3 0 46 0 45 O1_13 0.3000 254 3 0 254 3 0 46 0 46 O1_14 0.3000 254 3 0 254 3 0 46 0 47 O1_15 0.3000 254 3 0 254 3 0 46 0 48 O1_16 0.3000 254 3 0 254 3 0 46 0 49 O1_17 0.3000 254 3 0 254 3 0 46 0 50 O1_18 0.3000 254 3 0 254 3 0 46 0 51 O1_19 0.3000 254 3 0 254 3 0 46 0 52 O1_20 0.3000 254 3 0 254 3 0 46 0 53 O1_21 0.3000 254 3 0 254 3 0 46 0 54 O1_22 0.3000 254 3 0 254 3 0 46 0 55 O1_23 0.3000 254 3 0 254 3 0 46 0 56 O1_24 0.3000 254 3 0 254 3 0 46 0 57 O1_25 0.3000 254 3 0 254 3 0 46 0 58 O1_26 0.3000 254 3 0 254 3 0 46 0 59 O1_27 0.3000 254 3 0 254 3 0 46 0 60 O1_28 0.3000 254 3 0 254 3 0 46 0 61 O1_29 0.3000 254 3 0 254 3 0 46 0 62 O1_30 0.3000 254 3 0 254 3 0 46 0 63 O1_31 0.3000 254 3 0 254 3 0 46 0 64 O1_32 0.3000 254 3 0 254 3 0 46 0 65 O2_1 0.3000 254 3 0 254 3 0 46 0 66 O2_2 0.3000 254 3 0 254 3 0 46 0 67 O2_3 0.3000 254 3 0 254 3 0 46 0 68 O2_4 0.3000 254 3 0 254 3 0 46 0 69 O2_5 0.3000 254 3 0 254 3 0 46 0 70 O2_6 0.3000 254 3 0 254 3 0 46 0 71 O2_7 0.3000 254 3 0 254 3 0 46 0 72 O2_8 0.3000 254 3 0 254 3 0 46 0 0 0 0 0 0 0 VECTR 1 1.69837 0.00000 0.07451 0 1 0 0 0 0 0 0 0 0 0 2 -1.69837 0.00000 -0.07451 0 2 0 0 0 0 0 0 0 0 0 3 1.69837 0.00000 0.07451 0 3 0 0 0 0 0 0 0 0 0 4 -1.69837 0.00000 -0.07451 0 4 0 0 0 0 0 0 0 0 0 5 1.69837 0.00000 0.07451 0 5 0 0 0 0 0 0 0 0 0 6 1.69837 0.00000 0.07451 0 6 0 0 0 0 0 0 0 0 0 7 1.69837 0.00000 0.07451 0 7 0 0 0 0 0 0 0 0 0 8 -1.69837 0.00000 -0.07451 0 8 0 0 0 0 0 0 0 0 0 9 1.69837 0.00000 0.07451 0 9 0 0 0 0 0 0 0 0 0 10 -1.69837 0.00000 -0.07451 0 10 0 0 0 0 0 0 0 0 0 11 -1.69837 0.00000 -0.07451 0 11 0 0 0 0 0 0 0 0 0 12 -1.69837 0.00000 -0.07451 0 12 0 0 0 0 0 0 0 0 0 13 1.69837 0.00000 0.07451 0 13 0 0 0 0 0 0 0 0 0 14 -1.69837 0.00000 -0.07451 0 14 0 0 0 0 0 0 0 0 0 15 1.69837 0.00000 0.07451 0 15 0 0 0 0 0 0 0 0 0 16 -1.69837 0.00000 -0.07451 0 16 0 0 0 0 0 0 0 0 0 17 -0.32422 0.00000 -0.04255 0 25 0 0 0 0 0 0 0 0 0 18 0.32422 0.00000 0.04255 0 26 0 0 0 0 0 0 0 0 0 19 -0.32422 0.00000 -0.04255 0 27 0 0 0 0 0 0 0 0 0 20 -0.32422 0.00000 -0.04255 0 28 0 0 0 0 0 0 0 0 0 21 -0.32422 0.00000 -0.04255 0 29 0 0 0 0 0 0 0 0 0 22 0.32422 0.00000 0.04255 0 30 0 0 0 0 0 0 0 0 0 23 0.32422 0.00000 0.04255 0 31 0 0 0 0 0 0 0 0 0 24 0.32422 0.00000 0.04255 0 32 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 17 0.500 255 0 0 1 18 0.500 255 0 0 1 19 0.500 255 0 0 1 20 0.500 255 0 0 1 21 0.500 255 0 0 1 22 0.500 255 0 0 1 23 0.500 255 0 0 1 24 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 0.963182 0.268708 -0.008797 0.000000 -0.024833 0.121498 0.992281 0.000000 0.267702 -0.955528 0.123697 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 0.909 HBOND 0 2 STYLE DISPF 16479 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 BONDS 1 POLYS 2 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 1.000 180 180 180 POLYP 46 1 1.000 34 34 34 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 5.00000E-01 5.00000E-01 0.00000E+00 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 2.000 0 0 0 COMPS 1 LABEL 1 12 1.000 0 PROJT 0 0.962 BKGRC 255 255 255 DPTHQ 1 -0.5000 3.5000 LIGHT0 1 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 20.000000 0.000000 0.000000 0.000000 -1.000000 26 26 26 255 179 179 179 255 255 255 255 255 LIGHT1 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 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT2 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 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT3 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 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 ATOMM 204 204 204 255 25.600 BONDM 255 255 255 255 128.000 POLYM 255 255 255 255 128.000 SURFM 0 0 0 255 128.000 FORMM 255 255 255 255 128.000 HKLPM 255 255 255 255 128.000