#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "La2 Ni Ir 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 0.500000 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 0.500000 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 0.000000 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 0.000000 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 1 -0.000000 0.500000 0.250000 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 11.132000 11.260000 7.888000 90.000000 90.089996 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ni Ni1_1 1.0000 0.000000 0.250000 0.000000 4c -1 0.000000 0.000000 0.000000 0.00 2 Ni Ni1_2 1.0000 0.250000 0.000000 0.500000 4d -1 0.000000 0.000000 0.000000 0.00 3 Ir Ir1_1 1.0000 0.250000 0.000000 0.000000 4a -1 0.000000 0.000000 0.000000 0.00 4 Ir Ir1_2 1.0000 0.000000 0.250000 0.500000 4e -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 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 0.9000 201 206 114 201 206 114 80 0 4 Ir1_2 0.9000 201 206 114 201 206 114 80 0 0 0 0 0 0 0 VECTR 1 1.00000 0.00000 1.10000 0 1 0 0 0 0 0 0 0 0 0 2 -1.00000 0.00000 1.10000 0 2 0 0 0 0 0 0 0 0 0 3 0.12000 0.00000 0.13000 0 5 0 0 0 0 3 0 0 0 0 0 0 0 0 0 4 -0.12000 0.00000 0.13000 0 6 0 0 0 0 4 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 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 0.9000 201 206 114 201 206 114 80 0 0 0 0 0 0 SCENE 0.998639 -0.051597 -0.007627 0.000000 0.014909 0.142265 0.989716 0.000000 -0.049981 -0.988483 0.142840 0.000000 0.000000 0.000000 0.000000 1.000000 0.120 0.000 0.000 1.423 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 1.008221 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 1.000 245 245 245 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