#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Nd2 Ni1 Ir1 O6" GROUP 2 7 P_S-1 PSPGR 14 1 P 2_1/n SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.000000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 1 0.000000 0.500000 0.000000 1 0 0 0 1 0 0 0 1 -1 0.000000 0.500000 0.000000 -1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.500000 0.000000 1 0 0 0 1 0 0 0 1 1 0.500000 0.500000 0.000000 -1 0 0 0 -1 0 0 0 -1 1 0.500000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 -1 0.500000 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 1 -0.000000 -0.000000 -0.000000 0 2 1 0 0 1 1 0 0 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 10.860200 11.390200 7.756100 90.000000 90.209999 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ni Ni1_1 1.0000 0.000000 0.000000 0.500000 4d -1 0.000000 0.000000 0.000000 0.00 2 Ni Ni1_2 1.0000 0.250000 0.250000 0.000000 4c -1 0.000000 0.000000 0.000000 0.00 3 Ir Ir1_1 1.0000 0.000000 0.000000 0.000000 4a -1 0.000000 0.000000 0.000000 0.00 4 Ir Ir1_2 1.0000 0.250000 0.250000 0.500000 4e -1 0.000000 0.000000 0.000000 0.00 5 Nd Nd1_1 1.0000 0.008000 0.282450 0.759000 8i 1 0.000000 0.000000 0.000000 0.00 6 Nd Nd1_2 1.0000 0.242000 0.532450 0.741000 8i 1 0.000000 0.000000 0.000000 0.00 7 O O1_1 1.0000 0.050500 0.014000 0.262000 8i 1 0.000000 0.000000 0.000000 0.00 8 O O1_2 1.0000 0.199500 0.264000 0.238000 8i 1 0.000000 0.000000 0.000000 0.00 9 O O2_1 1.0000 0.092000 0.142500 0.947000 8i 1 0.000000 0.000000 0.000000 0.00 10 O O2_2 1.0000 0.158000 0.392500 0.553000 8i 1 0.000000 0.000000 0.000000 0.00 11 O O3_1 1.0000 0.100500 0.158500 0.549000 8i 1 0.000000 0.000000 0.000000 0.00 12 O O3_2 1.0000 0.149500 0.408500 0.951000 8i 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Ni1_1 0.000000 2 Ni1_2 0.000000 3 Ir1_1 0.000000 4 Ir1_2 0.000000 5 Nd1_1 0.000000 6 Nd1_2 0.000000 7 O1_1 0.000000 8 O1_2 0.000000 9 O2_1 0.000000 10 O2_2 0.000000 11 O3_1 0.000000 12 O3_2 0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.1 1.1 -0.1 1.1 0 1 0 0 0 0 0 SBOND 1 Ir O 0.00000 2.27746 0 1 1 0 1 0.250 2.000 127 127 127 2 Ni O 0.00000 2.28149 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Ni1_1 1.2500 183 187 189 183 187 189 80 0 2 Ni1_2 1.2500 183 187 189 183 187 189 80 0 3 Ir1_1 1.0000 201 206 114 201 206 114 80 0 4 Ir1_2 1.0000 201 206 114 201 206 114 80 0 5 Nd1_1 1.3000 251 141 6 251 141 6 80 0 6 Nd1_2 1.3000 251 141 6 251 141 6 80 0 7 O1_1 0.4000 254 3 0 254 3 0 80 0 8 O1_2 0.4000 254 3 0 254 3 0 80 0 9 O2_1 0.4000 254 3 0 254 3 0 80 0 10 O2_2 0.4000 254 3 0 254 3 0 80 0 11 O3_1 0.4000 254 3 0 254 3 0 80 0 12 O3_2 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 0 VECTR 1 0.00000 -1.27000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 0.00000 1.27000 0.00000 0 2 0 0 0 0 0 0 0 0 0 3 0.00000 -0.32000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 0.00000 0.32000 0.00000 0 4 0 0 0 0 0 0 0 0 0 5 0.00000 -2.20000 0.00000 0 5 0 0 0 0 0 0 0 0 0 6 0.00000 2.20000 0.00000 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 3 2 0.500 255 0 0 3 3 0.500 255 0 0 3 4 0.500 255 0 0 3 5 0.500 255 0 0 3 6 0.500 255 0 0 3 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 1 Ni 1.2500 183 187 189 183 187 189 80 2 Ir 1.0000 201 206 114 201 206 114 80 3 Nd 1.3000 251 141 6 251 141 6 80 4 O 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 SCENE -0.305174 0.951350 -0.042461 0.000000 -0.165732 -0.009150 0.986128 0.000000 0.937764 0.307978 0.160461 0.000000 0.000000 0.000000 0.000000 1.000000 0.125 0.000 0.000 1.251 HBOND 0 2 STYLE DISPF 37753794 MODEL 2 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 0.550000 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 2.000 127 127 127 POLYP 80 1 1.000 222 222 222 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 CONTR 0.1 -1 1 1 10 -1 2 5 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 1.000 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 SECCL 0 TEXCL 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