#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 1.NdNiO3_1.5K.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 10.764800 5.386100 15.213200 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Nd Nd1_1_1 1.0000 0.497000 0.038400 0.125000 1a 1 0.000000 0.000000 0.000000 1.00 2 Nd Nd1_1_2 1.0000 0.753000 0.538400 0.625000 1a 1 0.000000 0.000000 0.000000 1.00 3 Nd Nd1_1_3 1.0000 0.497000 0.038400 0.625000 1a 1 0.000000 0.000000 0.000000 1.00 4 Nd Nd1_1_4 1.0000 0.753000 0.538400 0.125000 1a 1 0.000000 0.000000 0.000000 1.00 5 Nd Nd1_1_5 1.0000 0.997000 0.038400 0.625000 1a 1 0.000000 0.000000 0.000000 1.00 6 Nd Nd1_1_6 1.0000 0.253000 0.538400 0.125000 1a 1 0.000000 0.000000 0.000000 1.00 7 Nd Nd1_1_7 1.0000 0.997000 0.038400 0.125000 1a 1 0.000000 0.000000 0.000000 1.00 8 Nd Nd1_1_8 1.0000 0.253000 0.538400 0.625000 1a 1 0.000000 0.000000 0.000000 1.00 9 Nd Nd1_2_1 1.0000 0.247000 0.461600 0.375000 1a 1 0.000000 0.000000 0.000000 1.00 10 Nd Nd1_2_2 1.0000 0.003000 0.961600 0.375000 1a 1 0.000000 0.000000 0.000000 1.00 11 Nd Nd1_2_3 1.0000 0.747000 0.461600 0.875000 1a 1 0.000000 0.000000 0.000000 1.00 12 Nd Nd1_2_4 1.0000 0.503000 0.961600 0.875000 1a 1 0.000000 0.000000 0.000000 1.00 13 Nd Nd1_2_5 1.0000 0.247000 0.461600 0.875000 1a 1 0.000000 0.000000 0.000000 1.00 14 Nd Nd1_2_6 1.0000 0.003000 0.961600 0.875000 1a 1 0.000000 0.000000 0.000000 1.00 15 Nd Nd1_2_7 1.0000 0.747000 0.461600 0.375000 1a 1 0.000000 0.000000 0.000000 1.00 16 Nd Nd1_2_8 1.0000 0.503000 0.961600 0.375000 1a 1 0.000000 0.000000 0.000000 1.00 17 Ni Ni1_1 1.0000 0.250000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 18 Ni Ni1_2 1.0000 0.000000 0.500000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 19 Ni Ni1_3 1.0000 0.250000 0.000000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 20 Ni Ni1_4 1.0000 0.000000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 21 Ni Ni1_5 1.0000 0.750000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 22 Ni Ni1_6 1.0000 0.500000 0.500000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 23 Ni Ni1_7 1.0000 0.750000 0.000000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 24 Ni Ni1_8 1.0000 0.500000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 25 Ni Ni1_9 1.0000 0.250000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 26 Ni Ni1_10 1.0000 0.000000 0.500000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 27 Ni Ni1_11 1.0000 0.250000 0.000000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 28 Ni Ni1_12 1.0000 0.000000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 29 Ni Ni1_13 1.0000 0.750000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 30 Ni Ni1_14 1.0000 0.500000 0.500000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 31 Ni Ni1_15 1.0000 0.750000 0.000000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 32 Ni Ni1_16 1.0000 0.500000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Nd1_1_1 1.000000 2 Nd1_1_2 1.000000 3 Nd1_1_3 1.000000 4 Nd1_1_4 1.000000 5 Nd1_1_5 1.000000 6 Nd1_1_6 1.000000 7 Nd1_1_7 1.000000 8 Nd1_1_8 1.000000 9 Nd1_2_1 1.000000 10 Nd1_2_2 1.000000 11 Nd1_2_3 1.000000 12 Nd1_2_4 1.000000 13 Nd1_2_5 1.000000 14 Nd1_2_6 1.000000 15 Nd1_2_7 1.000000 16 Nd1_2_8 1.000000 17 Ni1_1 1.000000 18 Ni1_2 1.000000 19 Ni1_3 1.000000 20 Ni1_4 1.000000 21 Ni1_5 1.000000 22 Ni1_6 1.000000 23 Ni1_7 1.000000 24 Ni1_8 1.000000 25 Ni1_9 1.000000 26 Ni1_10 1.000000 27 Ni1_11 1.000000 28 Ni1_12 1.000000 29 Ni1_13 1.000000 30 Ni1_14 1.000000 31 Ni1_15 1.000000 32 Ni1_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 Nd1_1_1 1.8200 251 141 6 251 141 6 204 0 2 Nd1_1_2 1.8200 251 141 6 251 141 6 204 0 3 Nd1_1_3 1.8200 251 141 6 251 141 6 204 0 4 Nd1_1_4 1.8200 251 141 6 251 141 6 204 0 5 Nd1_1_5 1.8200 251 141 6 251 141 6 204 0 6 Nd1_1_6 1.8200 251 141 6 251 141 6 204 0 7 Nd1_1_7 1.8200 251 141 6 251 141 6 204 0 8 Nd1_1_8 1.8200 251 141 6 251 141 6 204 0 9 Nd1_2_1 1.8200 251 141 6 251 141 6 204 0 10 Nd1_2_2 1.8200 251 141 6 251 141 6 204 0 11 Nd1_2_3 1.8200 251 141 6 251 141 6 204 0 12 Nd1_2_4 1.8200 251 141 6 251 141 6 204 0 13 Nd1_2_5 1.8200 251 141 6 251 141 6 204 0 14 Nd1_2_6 1.8200 251 141 6 251 141 6 204 0 15 Nd1_2_7 1.8200 251 141 6 251 141 6 204 0 16 Nd1_2_8 1.8200 251 141 6 251 141 6 204 0 17 Ni1_1 1.2500 183 187 189 183 187 189 204 0 18 Ni1_2 1.2500 183 187 189 183 187 189 204 0 19 Ni1_3 1.2500 183 187 189 183 187 189 204 0 20 Ni1_4 1.2500 183 187 189 183 187 189 204 0 21 Ni1_5 1.2500 183 187 189 183 187 189 204 0 22 Ni1_6 1.2500 183 187 189 183 187 189 204 0 23 Ni1_7 1.2500 183 187 189 183 187 189 204 0 24 Ni1_8 1.2500 183 187 189 183 187 189 204 0 25 Ni1_9 1.2500 183 187 189 183 187 189 204 0 26 Ni1_10 1.2500 183 187 189 183 187 189 204 0 27 Ni1_11 1.2500 183 187 189 183 187 189 204 0 28 Ni1_12 1.2500 183 187 189 183 187 189 204 0 29 Ni1_13 1.2500 183 187 189 183 187 189 204 0 30 Ni1_14 1.2500 183 187 189 183 187 189 204 0 31 Ni1_15 1.2500 183 187 189 183 187 189 204 0 32 Ni1_16 1.2500 183 187 189 183 187 189 204 0 0 0 0 0 0 0 VECTR 1 1.84700 0.00000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 -1.84700 0.00000 0.00000 0 2 0 0 0 0 0 0 0 0 0 3 -1.84700 0.00000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 1.84700 0.00000 0.00000 0 4 0 0 0 0 0 0 0 0 0 5 1.84700 0.00000 0.00000 0 5 0 0 0 0 0 0 0 0 0 6 -1.84700 0.00000 0.00000 0 6 0 0 0 0 0 0 0 0 0 7 -1.84700 0.00000 0.00000 0 7 0 0 0 0 0 0 0 0 0 8 1.84700 0.00000 0.00000 0 8 0 0 0 0 0 0 0 0 0 9 1.07182 0.00000 -0.16859 0 17 0 0 0 0 0 0 0 0 0 10 -1.07182 0.00000 0.16859 0 18 0 0 0 0 0 0 0 0 0 11 -1.07182 0.00000 -0.16859 0 19 0 0 0 0 0 0 0 0 0 12 1.07182 0.00000 0.16859 0 20 0 0 0 0 0 0 0 0 0 13 1.07182 0.00000 -0.16859 0 21 0 0 0 0 0 0 0 0 0 14 -1.07182 0.00000 0.16859 0 22 0 0 0 0 0 0 0 0 0 15 -1.07182 0.00000 -0.16859 0 23 0 0 0 0 0 0 0 0 0 16 1.07182 0.00000 0.16859 0 24 0 0 0 0 0 0 0 0 0 17 -1.07182 0.00000 0.16859 0 25 0 0 0 0 0 0 0 0 0 18 1.07182 0.00000 -0.16859 0 26 0 0 0 0 0 0 0 0 0 19 1.07182 0.00000 0.16859 0 27 0 0 0 0 0 0 0 0 0 20 -1.07182 0.00000 -0.16859 0 28 0 0 0 0 0 0 0 0 0 21 -1.07182 0.00000 0.16859 0 29 0 0 0 0 0 0 0 0 0 22 1.07182 0.00000 -0.16859 0 30 0 0 0 0 0 0 0 0 0 23 1.07182 0.00000 0.16859 0 31 0 0 0 0 0 0 0 0 0 24 -1.07182 0.00000 -0.16859 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