#VESTA_FORMAT_VERSION 3.5.4 MAGNETIC_CRYSTAL TITLE "Mn3 Ta2 O8" GROUP 15 87 C2'/c PSPGR 88 1 I 4_1/a 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 0.000000 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 0.500000 1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 1 -1 0.500000 0.500000 0.500000 -1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.000000 0.500000 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 -0.000000 -0.000000 0.000000 1 0 1 0 0 -1 0 1 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 11.272800 11.272800 9.803000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ta Ta1_1 1.0000 0.421790 0.056000 0.129900 8f 1 0.000000 0.000000 0.000000 5.00 2 Ta Ta1_2 1.0000 0.194000 0.171790 0.879900 8f 1 0.000000 0.000000 0.000000 5.00 3 Mn Mn1_1 1.0000 0.879400 0.548800 0.099000 8f 1 0.000000 0.000000 0.000000 2.00 4 Mn Mn1_2 1.0000 0.701200 0.629400 0.849000 8f 1 0.000000 0.000000 0.000000 2.00 5 Mn Mn2 1.0000 0.000000 0.750000 0.875000 4e 2' 0.000000 0.000000 0.000000 2.00 6 Mn Mn3 1.0000 0.000000 0.750000 0.375000 4e 2' 0.000000 0.000000 0.000000 2.00 7 O O1_1 1.0000 0.371800 0.201600 0.210100 8f 1 0.000000 0.000000 0.000000 -2.00 8 O O1_2 1.0000 0.048400 0.121800 -0.039900 8f 1 0.000000 0.000000 0.000000 -2.00 9 O O2_1 1.0000 0.463300 0.896500 0.018700 8f 1 0.000000 0.000000 0.000000 -2.00 10 O O2_2 1.0000 0.353500 0.213300 0.768700 8f 1 0.000000 0.000000 0.000000 -2.00 11 O O3_1 1.0000 0.197300 0.308000 -0.000400 8f 1 0.000000 0.000000 0.000000 -2.00 12 O O3_2 1.0000 0.442000 0.447300 0.249600 8f 1 0.000000 0.000000 0.000000 -2.00 13 O O4_1 1.0000 0.316800 -0.037400 0.242300 8f 1 0.000000 0.000000 0.000000 -2.00 14 O O4_2 1.0000 0.287400 0.066800 -0.007700 8f 1 0.000000 0.000000 0.000000 -2.00 0 0 0 0 0 0 0 THERI 1 1 Ta1_1 0.000000 2 Ta1_2 0.000000 3 Mn1_1 0.000000 4 Mn1_2 0.000000 5 Mn2 0.000000 6 Mn3 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 13 O4_1 0.000000 14 O4_2 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 Ta1_1 1.1000 183 154 86 183 154 86 60 0 2 Ta1_2 1.1000 183 154 86 183 154 86 60 0 3 Mn1_1 1.2000 168 8 158 168 8 158 60 0 4 Mn1_2 1.2000 168 8 158 168 8 158 60 0 5 Mn2 1.2000 168 8 158 168 8 158 60 0 6 Mn3 1.2000 168 8 158 168 8 158 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 13 O4_1 0.4000 254 3 0 254 3 0 60 0 14 O4_2 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 0 VECTR 1 0.00000 -4.01000 0.00000 0 3 0 0 0 0 0 0 0 0 0 2 0.00000 4.01000 0.00000 0 4 0 0 0 0 0 0 0 0 0 3 0.00000 4.01000 0.00000 0 5 0 0 0 0 0 0 0 0 0 4 0.00000 4.01000 0.00000 0 6 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 1 Ta 1.1000 183 154 86 183 154 86 60 2 Mn 1.2000 168 8 158 168 8 158 60 3 O 0.4000 254 3 0 254 3 0 60 0 0 0 0 0 0 SCENE 0.707865 -0.706168 -0.015966 0.000000 0.164079 0.142403 0.976114 0.000000 -0.687027 -0.693577 0.216670 0.000000 0.000000 0.000000 0.000000 1.000000 0.031 0.000 0.000 1.146 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 0.374065 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 1.000 215 215 215 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