#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "La Ba Mn2 O6" GROUP 123 345 P4/mm'm' PSPGR 123 1 P 4/m m m SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.000000 0.000000 0.000000 0 -1 0 1 0 0 0 0 1 1 0.000000 0.000000 0.000000 0 1 0 -1 0 0 0 0 1 1 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 0.000000 0.000000 -1 0 0 0 -1 0 0 0 1 1 0.000000 0.000000 0.000000 0 1 0 1 0 0 0 0 -1 -1 0.000000 0.000000 0.000000 0 -1 0 -1 0 0 0 0 -1 -1 0.000000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 1 0.000000 0.000000 0.000000 0 1 0 -1 0 0 0 0 -1 1 0.000000 0.000000 0.000000 0 -1 0 1 0 0 0 0 -1 1 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 0.000000 0.000000 1 0 0 0 1 0 0 0 -1 1 0.000000 0.000000 0.000000 0 -1 0 -1 0 0 0 0 1 -1 0.000000 0.000000 0.000000 0 1 0 1 0 0 0 0 1 -1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0 -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 3.901800 3.901800 7.791900 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 La La1 1.0000 0.000000 0.000000 0.000000 1a 4/mm'm' 0.000000 0.000000 0.000000 0.00 2 Ba Ba1 1.0000 0.000000 0.000000 0.500000 1b 4/mm'm' 0.000000 0.000000 0.000000 0.00 3 Mn Mn1 1.0000 0.500000 0.500000 0.252800 2h 4m'm' 0.000000 0.000000 0.000000 0.00 4 O O1 1.0000 0.000000 0.500000 0.734500 4i 2m'm'. 0.000000 0.000000 0.000000 0.00 5 O O2 1.0000 0.500000 0.500000 0.000000 1c 4/mm'm' 0.000000 0.000000 0.000000 0.00 6 O O3 1.0000 0.500000 0.500000 0.500000 1d 4/mm'm' 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 La1 0.000000 2 Ba1 0.000000 3 Mn1 0.000000 4 O1 0.000000 5 O2 0.000000 6 O3 0.000000 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 2.51652 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 La1 1.3000 40 87 32 90 196 73 80 0 2 Ba1 1.3000 30 239 44 30 239 44 80 0 3 Mn1 1.3700 168 8 158 168 8 158 80 0 4 O1 0.4000 254 3 0 254 3 0 80 0 5 O2 0.4000 254 3 0 254 3 0 80 0 6 O3 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 2.87900 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 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 1 La 1.3000 40 87 32 90 196 73 80 2 Ba 1.3000 30 239 44 30 239 44 80 3 Mn 1.3700 168 8 158 168 8 158 80 4 O 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 SCENE 0.966249 0.257487 -0.007907 0.000000 -0.052674 0.227525 0.972346 0.000000 0.252166 -0.939113 0.233409 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.000 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 0.521014 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 1.000 221 221 221 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