#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 0.1.LaMnO3.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 5.746100 7.663700 5.533300 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 La La1_1 1.0000 0.051300 0.250000 0.990500 1a 1 0.000000 0.000000 0.000000 1.00 2 La La1_2 1.0000 0.948700 0.750000 0.009500 1a 1 0.000000 0.000000 0.000000 1.00 3 La La1_3 1.0000 0.551300 0.250000 0.509500 1a 1 0.000000 0.000000 0.000000 1.00 4 La La1_4 1.0000 0.448700 0.750000 0.490500 1a 1 0.000000 0.000000 0.000000 1.00 5 Mn Mn1_1 1.0000 0.000000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 6 Mn Mn1_2 1.0000 0.000000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 7 Mn Mn1_3 1.0000 0.500000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 8 Mn Mn1_4 1.0000 0.500000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 9 O O1_1 1.0000 0.484900 0.250000 0.077700 1a 1 0.000000 0.000000 0.000000 1.00 10 O O1_2 1.0000 0.515100 0.750000 0.922300 1a 1 0.000000 0.000000 0.000000 1.00 11 O O1_3 1.0000 0.984900 0.250000 0.422300 1a 1 0.000000 0.000000 0.000000 1.00 12 O O1_4 1.0000 0.015100 0.750000 0.577700 1a 1 0.000000 0.000000 0.000000 1.00 13 O O2_1 1.0000 0.308500 0.040800 0.722700 1a 1 0.000000 0.000000 0.000000 1.00 14 O O2_2 1.0000 0.691500 0.540800 0.277300 1a 1 0.000000 0.000000 0.000000 1.00 15 O O2_3 1.0000 0.691500 0.959200 0.277300 1a 1 0.000000 0.000000 0.000000 1.00 16 O O2_4 1.0000 0.308500 0.459200 0.722700 1a 1 0.000000 0.000000 0.000000 1.00 17 O O2_5 1.0000 0.808500 0.459200 0.777300 1a 1 0.000000 0.000000 0.000000 1.00 18 O O2_6 1.0000 0.191500 0.959200 0.222700 1a 1 0.000000 0.000000 0.000000 1.00 19 O O2_7 1.0000 0.191500 0.540800 0.222700 1a 1 0.000000 0.000000 0.000000 1.00 20 O O2_8 1.0000 0.808500 0.040800 0.777300 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 La1_1 1.000000 2 La1_2 1.000000 3 La1_3 1.000000 4 La1_4 1.000000 5 Mn1_1 1.000000 6 Mn1_2 1.000000 7 Mn1_3 1.000000 8 Mn1_4 1.000000 9 O1_1 1.000000 10 O1_2 1.000000 11 O1_3 1.000000 12 O1_4 1.000000 13 O2_1 1.000000 14 O2_2 1.000000 15 O2_3 1.000000 16 O2_4 1.000000 17 O2_5 1.000000 18 O2_6 1.000000 19 O2_7 1.000000 20 O2_8 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 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 La1_1 1.3000 90 196 73 90 196 73 26 0 2 La1_2 1.3000 90 196 73 90 196 73 26 0 3 La1_3 1.3000 90 196 73 90 196 73 26 0 4 La1_4 1.3000 90 196 73 90 196 73 26 0 5 Mn1_1 1.3700 168 8 158 168 8 158 26 0 6 Mn1_2 1.3700 168 8 158 168 8 158 26 0 7 Mn1_3 1.3700 168 8 158 168 8 158 26 0 8 Mn1_4 1.3700 168 8 158 168 8 158 26 0 9 O1_1 0.4000 254 3 0 254 3 0 26 0 10 O1_2 0.4000 254 3 0 254 3 0 26 0 11 O1_3 0.4000 254 3 0 254 3 0 26 0 12 O1_4 0.4000 254 3 0 254 3 0 26 0 13 O2_1 0.4000 254 3 0 254 3 0 26 0 14 O2_2 0.4000 254 3 0 254 3 0 26 0 15 O2_3 0.4000 254 3 0 254 3 0 26 0 16 O2_4 0.4000 254 3 0 254 3 0 26 0 17 O2_5 0.4000 254 3 0 254 3 0 26 0 18 O2_6 0.4000 254 3 0 254 3 0 26 0 19 O2_7 0.4000 254 3 0 254 3 0 26 0 20 O2_8 0.4000 254 3 0 254 3 0 26 0 0 0 0 0 0 0 VECTR 1 1.38300 0.00000 0.00000 0 5 0 0 0 0 0 0 0 0 0 2 -1.38300 0.00000 0.00000 0 6 0 0 0 0 0 0 0 0 0 3 -1.38300 0.00000 0.00000 0 7 0 0 0 0 0 0 0 0 0 4 1.38300 0.00000 0.00000 0 8 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 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 0.986746 0.001958 0.162260 0.000000 0.036971 0.970916 -0.236549 0.000000 -0.158004 0.239412 0.957975 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 0.909 HBOND 0 2 STYLE DISPF 16479 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 BONDS 1 POLYS 2 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 26 1 1.000 34 34 34 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 5.00000E-01 5.00000E-01 0.00000E+00 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 2.000 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