#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Nd2 Zn1 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 0.500000 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 0.000000 0.000000 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 0.500000 0.500000 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 -0.250000 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 10.917200 11.492600 7.789200 90.000000 89.940002 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Nd Nd1_1 1.0000 0.009700 0.469150 0.249000 8i 1 0.000000 0.000000 0.000000 0.00 2 Nd Nd1_2 1.0000 0.240300 0.719150 0.251000 8i 1 0.000000 0.000000 0.000000 0.00 3 Ir Ir1_1 1.0000 0.000000 0.250000 0.000000 4a -1 0.000000 0.000000 0.000000 0.00 4 Ir Ir1_2 1.0000 0.250000 0.000000 0.500000 4e -1 0.000000 0.000000 0.000000 0.00 5 Zn Zn1_1 1.0000 0.250000 0.000000 0.000000 4c -1 0.000000 0.000000 0.000000 0.00 6 Zn Zn1_2 1.0000 0.000000 0.250000 0.500000 4d -1 0.000000 0.000000 0.000000 0.00 7 O O1_1 1.0000 0.093500 0.099500 0.062000 8i 1 0.000000 0.000000 0.000000 0.00 8 O O1_2 1.0000 0.156500 0.349500 0.438000 8i 1 0.000000 0.000000 0.000000 0.00 9 O O2_1 1.0000 0.097500 0.099000 0.460000 8i 1 0.000000 0.000000 0.000000 0.00 10 O O2_2 1.0000 0.152500 0.349000 0.040000 8i 1 0.000000 0.000000 0.000000 0.00 11 O O3_1 1.0000 0.300500 0.015800 0.263000 8i 1 0.000000 0.000000 0.000000 0.00 12 O O3_2 1.0000 0.949500 0.265800 0.237000 8i 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 Nd1_1 0.000000 2 Nd1_2 0.000000 3 Ir1_1 0.000000 4 Ir1_2 0.000000 5 Zn1_1 0.000000 6 Zn1_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 Zn O 0.00000 2.41693 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Nd1_1 1.2000 251 141 6 251 141 6 60 0 2 Nd1_2 1.2000 251 141 6 251 141 6 60 0 3 Ir1_1 0.8000 201 206 114 201 206 114 60 0 4 Ir1_2 0.8000 201 206 114 201 206 114 60 0 5 Zn1_1 1.0000 67 82 143 143 143 129 60 0 6 Zn1_2 1.0000 67 82 143 143 143 129 60 0 7 O1_1 0.4000 254 3 0 254 3 0 60 0 8 O1_2 0.4000 254 3 0 254 3 0 60 0 9 O2_1 0.4000 254 3 0 254 3 0 60 0 10 O2_2 0.4000 254 3 0 254 3 0 60 0 11 O3_1 0.4000 254 3 0 254 3 0 60 0 12 O3_2 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 0 VECTR 1 0.94000 1.98000 0.38000 0 1 0 0 0 0 0 0 0 0 0 2 0.94000 -1.98000 0.38000 0 2 0 0 0 0 0 0 0 0 0 3 -0.47000 -0.53000 0.15000 0 3 0 0 0 0 0 0 0 0 0 4 -0.47000 -0.53000 -0.15000 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 65 70 91 -1 DLBND -1 DLPLY -1 PLN2D 0 0 0 0 ATOMT 1 Nd 1.2000 251 141 6 251 141 6 60 2 Ir 0.8000 201 206 114 201 206 114 60 3 Zn 1.0000 67 82 143 143 143 129 60 4 O 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 SCENE 0.000000 -1.000000 0.000000 0.000000 0.999999 0.000000 -0.001047 0.000000 0.001047 0.000000 0.999999 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.244 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 0.674258 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 60 1 1.000 208 208 208 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