#VESTA_FORMAT_VERSION 3.1.8 CRYSTAL TITLE LaMnO3 GROUP 62 1 P n m a SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 0.000000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 0.500000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 1 0.500000 0.000000 0.500000 1 0 0 0 1 0 0 0 -1 0.000000 0.500000 0.000000 -1 0 0 0 1 0 0 0 -1 0.000000 0.500000 0.000000 1 0 0 0 -1 0 0 0 1 0.500000 0.500000 0.500000 1 0 0 0 -1 0 0 0 -1 0.500000 0.500000 0.500000 -1 0 0 0 1 0 0 0 1 -1.0 -1.0 -1.0 1 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 5.742000 7.668000 5.532000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 La La1 1.0000 0.549000 0.250000 0.010000 4c .m. 0.000000 0.000000 0.000000 0.00 2 Mn Mn1 1.0000 0.000000 0.000000 0.000000 4a -1 0.000000 0.000000 0.000000 0.00 3 O O1 1.0000 -0.014000 0.250000 -0.070000 4c .m. 0.000000 0.000000 0.000000 0.00 4 O O2 1.0000 0.309000 0.039000 0.224000 8d 1 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 La1 1.000000 2 Mn1 1.000000 3 O1 1.000000 4 O2 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 Mn O 0.00000 2.30000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 La1 1.8800 90 196 73 90 196 73 204 1 2 Mn1 1.3700 168 8 158 168 8 158 204 1 3 O1 0.7400 254 3 0 254 3 0 204 1 4 O2 0.7400 254 3 0 254 3 0 204 1 0 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 ARROW 0 0 0 0 0 0 0 0 0 PLN2D 0 0 0 0 ATOMT 1 La 1.8800 90 196 73 90 196 73 204 2 Mn 1.3700 168 8 158 168 8 158 204 3 O 0.7400 254 3 0 254 3 0 204 0 0 0 0 0 0 SCENE 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 0.000 0.000 0.000 1.000 HBOND 0 2 STYLE DISPF 147551 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 1 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 204 1 1.000 180 180 180 ISURF 0 0 0 0 TEX3P 1 0.00000E+000 1.00000E+000 SECTP 1 0.00000E+000 1.00000E+000 0.00000E+000 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 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